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Molby: コミット

Molecular Modeling Software

コミットメタ情報

リビジョン	5831f79238919a12d16f3ca025b2c99fa060d8a5 (tree)
日時	2022-09-19 16:31:07
作者	Toshi Nagata <alchemist.2005@nift...>
コミッター	Toshi Nagata

ログメッセージ

Compiler warnings are mostly removed.

変更サマリ

modified: Documents/src/doc_source.html (diff)
modified: MolLib/MD/MDForce.c (diff)
modified: MolLib/MD/MDPressure.c (diff)
modified: MolLib/MainView.c (diff)
modified: MolLib/MolAction.c (diff)
modified: MolLib/Molecule.c (diff)
modified: MolLib/Parameter.c (diff)
modified: MolLib/Ruby_bind/ruby_bind.c (diff)
modified: MolLib/Ruby_bind/ruby_dialog.c (diff)
modified: README (diff)
modified: Version (diff)
modified: bitmaps/jump_to_end.xpm (diff)
modified: bitmaps/jump_to_start.xpm (diff)
modified: bitmaps/pi00.xpm (diff)
modified: bitmaps/pi01.xpm (diff)
modified: bitmaps/pi02.xpm (diff)
modified: bitmaps/pi03.xpm (diff)
modified: bitmaps/pi04.xpm (diff)
modified: bitmaps/pi05.xpm (diff)
modified: bitmaps/pi06.xpm (diff)
modified: bitmaps/pi07.xpm (diff)
modified: bitmaps/pi08.xpm (diff)
modified: bitmaps/pi09.xpm (diff)
modified: bitmaps/pi10.xpm (diff)
modified: bitmaps/pi11.xpm (diff)
modified: bitmaps/play_backward.xpm (diff)
modified: bitmaps/play_forward.xpm (diff)
modified: bitmaps/rotate_bond.xpm (diff)
modified: bitmaps/rotate_x.xpm (diff)
modified: bitmaps/rotate_y.xpm (diff)
modified: bitmaps/stop_mini.xpm (diff)
modified: bitmaps/stop_mini_dark.xpm (diff)
modified: bitmaps/stop_mini_grey.xpm (diff)
modified: build-win/molby64.iss (diff)
modified: build-win32/molby32.iss (diff)
modified: build-xcode/Molby-Info.plist (diff)
modified: build-xcode/Molby.xcodeproj/project.pbxproj (diff)
modified: wxSources/ConsoleFrame.cpp (diff)
modified: wxSources/MoleculeView.cpp (diff)
modified: wxSources/MyApp.cpp (diff)
modified: wxSources/MyApp.h (diff)
modified: wxSources/MyVersion.c (diff)
modified: wxSources/OpenGL_extensions.c (diff)
modified: wxSources/ProgressFrame.cpp (diff)
modified: wxSources/RubyDialogFrame.cpp (diff)

差分

--- a/Documents/src/doc_source.html

+++ b/Documents/src/doc_source.html

		@@ -14,14 +14,14 @@
14	14	<div class="centered" lang="en">
15	15	<h1>Molby</h1>
16	16	<h2>Interactive Molecular Modeling Software<br />with Integrated Ruby Interpreter</h2>
17		-<h3>Version 1.0.2</h3> <!-- version -->
	17	+<h3>Version 1.1.0</h3> <!-- version -->
18	18	<h3>Toshi Nagata</h3>
19	19	<p><a href="http://molby.osdn.jp/index-en.html">http://molby.osdn.jp/index-en.html</a></p>
20	20	</div>
21	21	<div class="centered" lang="ja">
22	22	<h1>Molby</h1>
23	23	<h2>対話型分子モデリングソフトウェア<br />（Ruby インタプリタ内蔵）</h2>
24		-<h3>Version 1.0.2</h3> <!-- version -->
	24	+<h3>Version 1.1.0</h3> <!-- version -->
25	25	<h3>永田　央</h3>
26	26	<p><a href="http://molby.osdn.jp/index.html">http://molby.osdn.jp/index.html</a></p>
27	27	</div>

		@@ -96,8 +96,8 @@ Molby は、分子を 3D 表示して、画面上で分子モデルを構築す
96	96	Molby runs on the following platforms.
97	97	</p>
98	98	<ul>
99		-<li>Microsoft Windows (XP or later, 32 bit or 64 bit).</li>
100		-<li>Mac OS X (10.6 or later, 64 bit Intel).</li>
	99	+<li>Microsoft Windows (7 or later, 32 bit or 64 bit).</li>
	100	+<li>Mac OS X (10.12 or later, 64 bit Intel).</li>
101	101	</ul>
102	102
103	103	<p>

		@@ -114,7 +114,7 @@ Download from the official distribution web site, <a href="http://en.osdn.jp/pro
114	114	<h3>3-1. Microsoft Windows</h3>
115	115
116	116	<p>
117		-The Windows version is provided either as a zip archive (<code>MolbyWin.zip</code>) or a standard setup package (<code>SetupMolbyWin.exe</code>).
	117	+The Windows version is provided either as a zip archive (<code>MolbyWin32.zip</code>, <code>MolbyWin64.zip</code>) or a standard setup package (<code>SetupMolbyWin32.exe</code>, <code>SetupMolbyWin.exe</code>).
118	118	</p>
119	119	<p>
120	120	To use the zip archive, expand all contents in your favorite place, and double-click the "Molby" icon.

		@@ -125,10 +125,7 @@ To install on your PC, start the setup package, and follow the instructions. Aft
125	125
126	126	<h3>3-2. Mac OS X</h3>
127	127	<p>
128		-The Mac version is provided as a zip archive (<code>MolbyMac.zip</code>). Double-click the archive, and you will get a folder including the Molby application. Drag it to the "Applications" folder in your hard drive.
129		-</p>
130		-<p>
131		-<span class="italic">Note:</span> The Mac version is provided as a universal binary, which runs natively on both PowerPC and Intel platforms.
	128	+The Mac version is provided as a zip archive (<code>MolbyMac.zip</code>, <code>MolbyMacLegacy.zip</code> for MacOS 10.6 to 10.11). Double-click the archive, and you will get a folder including the Molby application. Drag it to the "Applications" folder in your hard drive.
132	129	</p>
133	130
134	131	<h2>4. Uninstallation</h2>

		@@ -149,8 +146,8 @@ Trash the Molby application in the "Applications" folder.
149	146	Molbyは以下のプラットフォームで動作します。
150	147	</p>
151	148	<ul>
152		-<li>Microsoft Windows (XPまたはそれ以降, 32ビットまたは64ビット).</li>
153		-<li>Mac OS X (10.6 またはそれ以降、64ビット).</li>
	149	+<li>Microsoft Windows (7またはそれ以降, 32ビットまたは64ビット).</li>
	150	+<li>Mac OS X (10.12 またはそれ以降、64ビット).</li>
154	151	</ul>
155	152
156	153	<p>

		@@ -167,7 +164,7 @@ Molbyは以下のプラットフォームで動作します。
167	164	<h3>3-1. Microsoft Windows</h3>
168	165
169	166	<p>
170		-Windows版は、zip アーカイブ（<code>MolbyWin32.zip</code>:32 ビット版, <code>MolbyWin64.zip</code>: 64ビット版）、または標準のセットアップパッケージ (<code>SetupMolbyWin32.exe</code>: 32ビット版、<code>SetupMolbyWin64.exe</code>: 64ビット版) で配布されています。どちらも内容は同じです。
	167	+Windows版は、zip アーカイブ（<code>MolbyWin32.zip</code>:32 ビット版, <code>MolbyWin64.zip</code>: 64ビット版）、または標準のセットアップパッケージ (<code>SetupMolbyWin32.exe</code>: 32ビット版、<code>SetupMolbyWin64.exe</code>: 64ビット版) で配布されています。
171	168	</p>
172	169	<p>
173	170	Zip アーカイブを使う時は、最初に内容をすべて展開してください。展開したフォルダの中に Molby アプリケーションがあるので、ダブルクリックして起動してください。

		@@ -178,10 +175,7 @@ Zip アーカイブを使う時は、最初に内容をすべて展開してく
178	175
179	176	<h3>3-2. Mac OS X</h3>
180	177	<p>
181		-Mac版は、zip アーカイブ (<code>MolbyMac.zip</code>) で配布されています。アーカイブをダブルクリックすると、内容が展開されて新しいフォルダができます。Molby アプリケーションがその中にありますので、ハードディスクの「アプリケーション」フォルダにドラッグコピーしてください。
182		-</p>
183		-<p>
184		-<span class="italic">注:</span> Version 1.0 から、Mac 版は 64 bit のみになりました。
	178	+Mac版は、zip アーカイブ (<code>MolbyMac.zip</code>, <code>MolbyMacLegacy.zip</code> [10.6〜10.11用]) で配布されています。アーカイブをダブルクリックすると、内容が展開されて新しいフォルダができます。Molby アプリケーションがその中にありますので、ハードディスクの「アプリケーション」フォルダにドラッグコピーしてください。
185	179	</p>
186	180
187	181	<h2>4. アンインストール</h2>

		@@ -218,7 +212,7 @@ I ask for citation of the following paper in published works that utilize Molby:
218	212	<p>
219	213	Toshi Nagata, "Molby - Graphical Molecular Modeling Software with Integrated Ruby Interpreter,"
220	214	<br />
221		-<i>Bull. Chem. Soc. Jpn.</i> <b>2014,</b> in press. DOI:<a href="http://dx.doi.org/10.1246/bcsj.20140093">10.1246/bcsj.20140093</a>
	215	+<i>Bull. Chem. Soc. Jpn.</i> <b>2014,</b> <i>87,</i> 902-904. DOI:<a href="http://dx.doi.org/10.1246/bcsj.20140093">10.1246/bcsj.20140093</a>
222	216	</p>
223	217	</blockquote>
224	218	<p>

		@@ -229,7 +223,7 @@ Molby includes the following softwares, which are copyrighted products as descri
229	223	<a href="http://ambermd.org/">AmberTools 1.3</a>: Copyright (C) Junmei Wang, Ross C. Walker, Michael F. Crowley, Scott Brozell and David A. Case
230	224	</li>
231	225	<li>
232		-<a href="http://www.wxwidgets.org/">wxWidgets 3.0.0</a>: Copyright (C) 1992-2013 Julian Smart, Robert Roebling, Vadim Zeitlin and other members of the wxWidgets team. Portions (c) 1996 Artificial Intelligence Applications Institute
	226	+<a href="http://www.wxwidgets.org/">wxWidgets 3.2.0</a>: Copyright (C) 1992-2022 Julian Smart, Robert Roebling, Vadim Zeitlin and other members of the wxWidgets team. Portions (c) 1996 Artificial Intelligence Applications Institute
233	227	</li>
234	228	<li>
235	229	<a href="http://www.ruby-lang.org/">Ruby 2.0.0</a>: Copyright (C) 1993-2013 Yukihiro Matsumoto

		@@ -248,7 +242,7 @@ Burnett, M. N.; Johnson, C. K. <i>ORTEP-III: Oak Ridge Thermal Ellipsoid Plot Pr
248	242
249	243	<h2>2. License</h2>
250	244	<p>
251		-Molby is distributed under the GNU General Public License (version 2).
	245	+Molby is distributed under the GNU General Public License (version 3).
252	246	</p>
253	247	<blockquote>
254	248	<p>

		@@ -260,7 +254,7 @@ Copyright (C) 2008-2022 Toshi Nagata <!-- copyright -->
260	254	<p>
261	255	This program is free software; you can redistribute it and/or modify
262	256	it under the terms of the GNU General Public License as published by
263		-the Free Software Foundation; either version 2 of the License, or
	257	+the Free Software Foundation; either version 3 of the License, or
264	258	(at your option) any later version.
265	259	</p>
266	260	<p>

		@@ -286,7 +280,7 @@ Molby を利用した成果を発表される際は、以下の論文を引用
286	280	<blockquote>
287	281	<p>
288	282	Toshi Nagata, "Molby - Graphical Molecular Modeling Software with Integrated Ruby Interpreter," <br />
289		-<i>Bull. Chem. Soc. Jpn.</i> <b>2014,</b> in press. DOI:<a href="http://dx.doi.org/10.1246/bcsj.20140093">10.1246/bcsj.20140093</a>
	283	+<i>Bull. Chem. Soc. Jpn.</i> <b>2014,</b> <i>87,</i> 902-904. DOI:<a href="http://dx.doi.org/10.1246/bcsj.20140093">10.1246/bcsj.20140093</a>
290	284	</p>
291	285	</blockquote>
292	286	<p>

		@@ -297,7 +291,7 @@ Molby は以下のソフトウェアを含んでいます。それぞれの著
297	291	<a href="http://ambermd.org/">AmberTools 1.3</a>: Copyright (C) Junmei Wang, Ross C. Walker, Michael F. Crowley, Scott Brozell and David A. Case
298	292	</li>
299	293	<li>
300		-<a href="http://www.wxwidgets.org/">wxWidgets 3.0.0</a>: Copyright (C) 1992-2013 Julian Smart, Robert Roebling, Vadim Zeitlin and other members of the wxWidgets team. Portions (c) 1996 Artificial Intelligence Applications Institute
	294	+<a href="http://www.wxwidgets.org/">wxWidgets 3.2.0</a>: Copyright (C) 1992-2022 Julian Smart, Robert Roebling, Vadim Zeitlin and other members of the wxWidgets team. Portions (c) 1996 Artificial Intelligence Applications Institute
301	295	</li>
302	296	<li>
303	297	<a href="http://www.ruby-lang.org/">Ruby 2.0.0</a>: Copyright (C) 1993-2013 Yukihiro Matsumoto

		@@ -316,7 +310,7 @@ Burnett, M. N.; Johnson, C. K. <i>ORTEP-III: Oak Ridge Thermal Ellipsoid Plot Pr
316	310
317	311	<h2>2. ライセンス</h2>
318	312	<p>
319		-Molby は <a href="../etc/gpl.txt">GNU General Public License (GNU 一般公衆利用許諾契約書, version 2)</a> に従って配布します。
	313	+Molby は <a href="../etc/gpl.txt">GNU General Public License (GNU 一般公衆利用許諾契約書, version 3)</a> に従って配布します。
320	314	</p>
321	315	<blockquote>
322	316	<p>

		@@ -326,7 +320,7 @@ Molby: 対話型分子モデルソフトウェア（Ruby インタプリタ内
326	320	Copyright (C) 2008-2022 Toshi Nagata <!-- copyright -->
327	321	</p>
328	322	<p>
329		-このプログラムはフリーソフトウェアです。あなたはこれを、フリーソフトウェア財団によって発行された GNU 一般公衆利用許諾契約書(バージョン2か、希望によってはそれ以降のバージョンのうちどれか)の定める条件の下で再頒布または改変することができます。
	323	+このプログラムはフリーソフトウェアです。あなたはこれを、フリーソフトウェア財団によって発行された GNU 一般公衆利用許諾契約書(バージョン3か、希望によってはそれ以降のバージョンのうちどれか)の定める条件の下で再頒布または改変することができます。
330	324	</p>
331	325	<p>
332	326	このプログラムは有用であることを願って頒布されますが、全くの無保証です。商業可能性の保証や特定の目的への適合性は、言外に示されたものも含め全く存在しません。詳しくはGNU 一般公衆利用許諾契約書をご覧ください。

--- a/MolLib/MD/MDForce.c

+++ b/MolLib/MD/MDForce.c

		@@ -21,6 +21,8 @@
21	21	#include <stdlib.h>
22	22	#include <string.h>
23	23
	24	+#include "Missing.h"
	25	+
24	26	extern int do_custom_bond_callback(MDArena arena, Double r, void procObj, Double energy, Double force);
25	27
26	28	static void

--- a/MolLib/MD/MDPressure.c

+++ b/MolLib/MD/MDPressure.c

		@@ -126,7 +126,7 @@ pressure_control(MDArena *arena)
126	126	Transform tf;
127	127	Vector v;
128	128	Vector cello_new;
129		- Mat33 celltr_save;
	129	+ Transform celltr_save;
130	130	Double w, w0;
131	131	int i;
132	132	int needs_cell_recalculate = 0;

--- a/MolLib/MainView.c

+++ b/MolLib/MainView.c

		@@ -27,6 +27,7 @@
27	27	#include <stdlib.h>
28	28	#include <string.h>
29	29	#include <ctype.h>
	30	+#include <math.h>
30	31
31	32	#define biso2radius(r) ((r) > 0.5 ? sqrt((r) / 78.9568352087147) : 0.08)
32	33

		@@ -36,6 +37,168 @@
36	37	/* Invalid bond/angle/torsion value, used in internal cache */
37	38	const Double kInvalidValue = -10000000.0;
38	39
	40	+#pragma mark ==== OpenGL utility functions ===
	41	+
	42	+static void __gluMultMatrixVecf(const GLdouble matrix[16], const GLdouble in[4], GLdouble out[4])
	43	+{
	44	+ int i;
	45	+ for (i = 0; i < 4; i++) {
	46	+ out[i] = in[0] * matrix[04+i] + in[1] matrix[14+i] + in[2] matrix[24+i] + in[3] matrix[3*4+i];
	47	+ }
	48	+}
	49	+
	50	+static int __gluInvertMatrixf(const GLdouble m[16], GLdouble invOut[16])
	51	+{
	52	+ GLdouble inv[16], det;
	53	+ int i;
	54	+
	55	+ inv[0] = m[5]m[10]m[15] - m[5]m[11]m[14] - m[9]m[6]m[15]
	56	+ + m[9]m[7]m[14] + m[13]m[6]m[11] - m[13]m[7]m[10];
	57	+ inv[4] = -m[4]m[10]m[15] + m[4]m[11]m[14] + m[8]m[6]m[15]
	58	+ - m[8]m[7]m[14] - m[12]m[6]m[11] + m[12]m[7]m[10];
	59	+ inv[8] = m[4]m[9]m[15] - m[4]m[11]m[13] - m[8]m[5]m[15]
	60	+ + m[8]m[7]m[13] + m[12]m[5]m[11] - m[12]m[7]m[9];
	61	+ inv[12] = -m[4]m[9]m[14] + m[4]m[10]m[13] + m[8]m[5]m[14]
	62	+ - m[8]m[6]m[13] - m[12]m[5]m[10] + m[12]m[6]m[9];
	63	+ inv[1] = -m[1]m[10]m[15] + m[1]m[11]m[14] + m[9]m[2]m[15]
	64	+ - m[9]m[3]m[14] - m[13]m[2]m[11] + m[13]m[3]m[10];
	65	+ inv[5] = m[0]m[10]m[15] - m[0]m[11]m[14] - m[8]m[2]m[15]
	66	+ + m[8]m[3]m[14] + m[12]m[2]m[11] - m[12]m[3]m[10];
	67	+ inv[9] = -m[0]m[9]m[15] + m[0]m[11]m[13] + m[8]m[1]m[15]
	68	+ - m[8]m[3]m[13] - m[12]m[1]m[11] + m[12]m[3]m[9];
	69	+ inv[13] = m[0]m[9]m[14] - m[0]m[10]m[13] - m[8]m[1]m[14]
	70	+ + m[8]m[2]m[13] + m[12]m[1]m[10] - m[12]m[2]m[9];
	71	+ inv[2] = m[1]m[6]m[15] - m[1]m[7]m[14] - m[5]m[2]m[15]
	72	+ + m[5]m[3]m[14] + m[13]m[2]m[7] - m[13]m[3]m[6];
	73	+ inv[6] = -m[0]m[6]m[15] + m[0]m[7]m[14] + m[4]m[2]m[15]
	74	+ - m[4]m[3]m[14] - m[12]m[2]m[7] + m[12]m[3]m[6];
	75	+ inv[10] = m[0]m[5]m[15] - m[0]m[7]m[13] - m[4]m[1]m[15]
	76	+ + m[4]m[3]m[13] + m[12]m[1]m[7] - m[12]m[3]m[5];
	77	+ inv[14] = -m[0]m[5]m[14] + m[0]m[6]m[13] + m[4]m[1]m[14]
	78	+ - m[4]m[2]m[13] - m[12]m[1]m[6] + m[12]m[2]m[5];
	79	+ inv[3] = -m[1]m[6]m[11] + m[1]m[7]m[10] + m[5]m[2]m[11]
	80	+ - m[5]m[3]m[10] - m[9]m[2]m[7] + m[9]m[3]m[6];
	81	+ inv[7] = m[0]m[6]m[11] - m[0]m[7]m[10] - m[4]m[2]m[11]
	82	+ + m[4]m[3]m[10] + m[8]m[2]m[7] - m[8]m[3]m[6];
	83	+ inv[11] = -m[0]m[5]m[11] + m[0]m[7]m[9] + m[4]m[1]m[11]
	84	+ - m[4]m[3]m[9] - m[8]m[1]m[7] + m[8]m[3]m[5];
	85	+ inv[15] = m[0]m[5]m[10] - m[0]m[6]m[9] - m[4]m[1]m[10]
	86	+ + m[4]m[2]m[9] + m[8]m[1]m[6] - m[8]m[2]m[5];
	87	+
	88	+ det = m[0]inv[0] + m[1]inv[4] + m[2]inv[8] + m[3]inv[12];
	89	+ if (det == 0)
	90	+ return GL_FALSE;
	91	+
	92	+ det = 1.0 / det;
	93	+
	94	+ for (i = 0; i < 16; i++)
	95	+ invOut[i] = inv[i] * det;
	96	+
	97	+ return GL_TRUE;
	98	+}
	99	+
	100	+static void __gluMultMatricesf(const GLdouble a[16], const GLdouble b[16],
	101	+ GLdouble r[16])
	102	+{
	103	+ int i, j;
	104	+ for (i = 0; i < 4; i++) {
	105	+ for (j = 0; j < 4; j++) {
	106	+ r[i4+j] = a[i4+0]b[04+j] + a[i4+1]b[14+j] + a[i4+2]b[24+j] + a[i4+3]b[3*4+j];
	107	+ }
	108	+ }
	109	+}
	110	+
	111	+GLint
	112	+myGluProject(GLdouble objx, GLdouble objy, GLdouble objz, const GLdouble modelMatrix[16], const GLdouble projMatrix[16], const GLint viewport[4], GLdouble winx, GLdouble winy, GLdouble *winz)
	113	+{
	114	+ GLdouble in[4];
	115	+ GLdouble out[4];
	116	+
	117	+ in[0] = objx;
	118	+ in[1] = objy;
	119	+ in[2] = objz;
	120	+ in[3] = 1.0;
	121	+ __gluMultMatrixVecf(modelMatrix, in, out);
	122	+ __gluMultMatrixVecf(projMatrix, out, in);
	123	+ if (in[3] == 0.0)
	124	+ return(GL_FALSE);
	125	+ in[0] /= in[3];
	126	+ in[1] /= in[3];
	127	+ in[2] /= in[3];
	128	+ /* Map x, y and z to range 0-1 */
	129	+ in[0] = in[0] * 0.5 + 0.5;
	130	+ in[1] = in[1] * 0.5 + 0.5;
	131	+ in[2] = in[2] * 0.5 + 0.5;
	132	+ /* Map x,y to viewport */
	133	+ in[0] = in[0] * viewport[2] + viewport[0];
	134	+ in[1] = in[1] * viewport[3] + viewport[1];
	135	+ *winx = in[0];
	136	+ *winy = in[1];
	137	+ *winz = in[2];
	138	+ return(GL_TRUE);
	139	+}
	140	+
	141	+GLint
	142	+myGluUnProject(GLdouble winx, GLdouble winy, GLdouble winz, const GLdouble modelMatrix[16], const GLdouble projMatrix[16], const GLint viewport[4], GLdouble objx, GLdouble objy, GLdouble *objz)
	143	+{
	144	+ GLdouble finalMatrix[16];
	145	+ GLdouble in[4];
	146	+ GLdouble out[4];
	147	+
	148	+ __gluMultMatricesf(modelMatrix, projMatrix, finalMatrix);
	149	+ if (!__gluInvertMatrixf(finalMatrix, finalMatrix))
	150	+ return(GL_FALSE);
	151	+
	152	+ in[0] = winx;
	153	+ in[1] = winy;
	154	+ in[2] = winz;
	155	+ in[3] = 1.0;
	156	+
	157	+ /* Map x and y from window coordinates */
	158	+ in[0] = (in[0] - viewport[0]) / viewport[2];
	159	+ in[1] = (in[1] - viewport[1]) / viewport[3];
	160	+
	161	+ /* Map to range -1 to 1 */
	162	+ in[0] = in[0] * 2 - 1;
	163	+ in[1] = in[1] * 2 - 1;
	164	+ in[2] = in[2] * 2 - 1;
	165	+
	166	+ __gluMultMatrixVecf(finalMatrix, in, out);
	167	+ if (out[3] == 0.0) return(GL_FALSE);
	168	+ out[0] /= out[3];
	169	+ out[1] /= out[3];
	170	+ out[2] /= out[3];
	171	+ *objx = out[0];
	172	+ *objy = out[1];
	173	+ *objz = out[2];
	174	+ return(GL_TRUE);
	175	+}
	176	+
	177	+void
	178	+myGluPerspective(GLdouble fovy_degree, GLdouble aspect, GLdouble zNear, GLdouble zFar) {
	179	+ GLdouble m[16];
	180	+ GLdouble fovy_rad = fovy_degree * (3.14159265358979 / 180.0);
	181	+ GLdouble f = 1.0 / tan(fovy_rad / (GLdouble)2.0);
	182	+ m[0] = f / aspect;
	183	+ m[1] = 0.0;
	184	+ m[2] = 0.0;
	185	+ m[3] = 0.0;
	186	+ m[4] = 0.0;
	187	+ m[5] = f;
	188	+ m[6] = 0.0;
	189	+ m[7] = 0.0;
	190	+ m[8] = 0.0;
	191	+ m[9] = 0.0;
	192	+ m[10] = (zFar + zNear) / (zNear - zFar);
	193	+ m[11] = -1.0;
	194	+ m[12] = 0.0;
	195	+ m[13] = 0.0;
	196	+ m[14] = (2 * zFar * zNear) / (zNear - zFar);
	197	+ m[15] = 0.0;
	198	+ glMatrixMode(GL_PROJECTION);
	199	+ glLoadMatrixd(m);
	200	+}
	201	+
39	202	#pragma mark ==== MainView public methods ====
40	203
41	204	void

		@@ -298,7 +461,7 @@ MainView_convertScreenPositionToObjectPosition(MainView mview, const GLfloat s
298	461	winZ = screenPos[2];
299	462	else
300	463	glReadPixels(screenPos[0] * scale, screenPos[1] * scale, 1, 1, GL_DEPTH_COMPONENT, GL_FLOAT, &winZ);
301		- gluUnProject(screenPos[0] * scale, screenPos[1] * scale, winZ, mview->modelview_matrix, mview->projection_matrix, viewport, &posX, &posY, &posZ);
	464	+ myGluUnProject(screenPos[0] * scale, screenPos[1] * scale, winZ, mview->modelview_matrix, mview->projection_matrix, viewport, &posX, &posY, &posZ);
302	465	n = glGetError();
303	466	MainViewCallback_unlockFocus(mview);
304	467	objectPos[0] = posX;

		@@ -323,7 +486,7 @@ MainView_convertObjectPositionToScreenPosition(MainView mview, const double ob
323	486	viewport[0] = viewport[1] = 0;
324	487	viewport[2] = (GLint)(rect[2] - rect[0]) * scale;
325	488	viewport[3] = (GLint)(rect[3] - rect[1]) * scale;
326		- gluProject(objectPos[0], objectPos[1], objectPos[2], mview->modelview_matrix, mview->projection_matrix, viewport, &objX, &objY, &objZ);
	489	+ myGluProject(objectPos[0], objectPos[1], objectPos[2], mview->modelview_matrix, mview->projection_matrix, viewport, &objX, &objY, &objZ);
327	490	if (glGetError() == GL_NO_ERROR) {
328	491	screenPos[0] = objX / scale;
329	492	screenPos[1] = objY / scale;

		@@ -1777,7 +1940,7 @@ MainView_drawModel(MainView *mview)
1777	1940	mview->perspective_vector[1] = width / height;
1778	1941	mview->perspective_vector[2] = dimension;
1779	1942	mview->perspective_vector[3] = distance + 200.0 * dimension;
1780		- gluPerspective(mview->perspective_vector[0], mview->perspective_vector[1], mview->perspective_vector[2], mview->perspective_vector[3]);
	1943	+ myGluPerspective(mview->perspective_vector[0], mview->perspective_vector[1], mview->perspective_vector[2], mview->perspective_vector[3]);
1781	1944
1782	1945	/* Set up the model view */
1783	1946	glMatrixMode(GL_MODELVIEW);

--- a/MolLib/MolAction.c

+++ b/MolLib/MolAction.c

		@@ -634,7 +634,7 @@ s_MolActionLog(Molecule mol, MolAction action, FILE *fp)
634	634	MoleculeCallback_displayName(argp->u.mval, buf, sizeof buf);
635	635	if (buf[0] == 0) {
636	636	/* No associated document */
637		- snprintf(buf, sizeof buf, "#<Molecule:0x%lx>", (long unsigned)(void *)argp->u.mval);
	637	+ snprintf(buf, sizeof buf, "#<Molecule:0x%lx>", (uintptr_t)(void *)argp->u.mval);
638	638	}
639	639	fprintf(fp, "%s", buf);
640	640	break;

--- a/MolLib/Molecule.c

+++ b/MolLib/Molecule.c

		@@ -9387,12 +9387,12 @@ MoleculeChangeResidueNumberWithArray(Molecule mp, IntGroup group, Int *resSeqs
9387	9387	Atom *ap;
9388	9388
9389	9389	/* If LSB of resSeqs is 1, then a constant value is used for all specified atoms */
9390		- if (((int)resSeqs & 1) == 0) {
	9390	+ if (((uintptr_t)resSeqs & 1) == 0) {
9391	9391	withArray = 1;
9392	9392	resSeq = 0;
9393	9393	} else {
9394	9394	withArray = 0;
9395		- resSeq = ((int)resSeqs - 1) / 2;
	9395	+ resSeq = ((uintptr_t)resSeqs - 1) / 2;
9396	9396	}
9397	9397
9398	9398	IntGroupIteratorInit(group, &iter);

--- a/MolLib/Parameter.c

+++ b/MolLib/Parameter.c

		@@ -21,6 +21,7 @@
21	21	#include <stdarg.h>
22	22	#include <math.h>
23	23	#include <float.h>
	24	+#include "Missing.h"
24	25
25	26	/* Global parameter: it is initialized by the first call to ParameterReadFromFile() */
26	27	Parameter *gBuiltinParameters = NULL;

--- a/MolLib/Ruby_bind/ruby_bind.c

+++ b/MolLib/Ruby_bind/ruby_bind.c

		@@ -789,7 +789,7 @@ static VALUE
789	789	s_Ruby_UpdateUI_handler(VALUE data)
790	790	{
791	791	void p = (void )data;
792		- int index = (int)p[0];
	792	+ int index = (intptr_t)p[0];
793	793	Molecule mol = (Molecule )p[1];
794	794	int outChecked = (int )p[2];
795	795	char outTitle = (char )p[3];

		@@ -8626,7 +8626,7 @@ s_Molecule_FitCoordinates(int argc, VALUE *argv, VALUE self)
8626	8626	VALUE gval, rval, wval;
8627	8627	IntGroup *ig;
8628	8628	IntGroupIterator iter;
8629		- int nn, errno, i, j, in, status;
	8629	+ int nn, errnum, i, j, in, status;
8630	8630	Vector *ref;
8631	8631	Double *weights, dval[3];
8632	8632	Transform tr;

		@@ -8647,7 +8647,7 @@ s_Molecule_FitCoordinates(int argc, VALUE *argv, VALUE self)
8647	8647	if (rb_obj_is_kind_of(rval, rb_cNumeric)) {
8648	8648	int fn = NUM2INT(rb_Integer(rval));
8649	8649	if (fn < 0 \|\| fn >= MoleculeGetNumberOfFrames(mol)) {
8650		- errno = 1;
	8650	+ errnum = 1;
8651	8651	status = fn;
8652	8652	goto err;
8653	8653	}

		@@ -8660,7 +8660,7 @@ s_Molecule_FitCoordinates(int argc, VALUE *argv, VALUE self)
8660	8660	} else if (rb_obj_is_kind_of(rval, rb_cLAMatrix)) {
8661	8661	LAMatrix *m = LAMatrixFromValue(rval, NULL, 0, 0);
8662	8662	if (m->row * m->column < nn * 3) {
8663		- errno = 2;
	8663	+ errnum = 2;
8664	8664	goto err;
8665	8665	}
8666	8666	for (i = 0; i < nn; i++) {

		@@ -8672,24 +8672,24 @@ s_Molecule_FitCoordinates(int argc, VALUE *argv, VALUE self)
8672	8672	VALUE aval;
8673	8673	rval = rb_protect(rb_ary_to_ary, rval, &status);
8674	8674	if (status != 0) {
8675		- errno = 3;
	8675	+ errnum = 3;
8676	8676	goto err;
8677	8677	}
8678	8678	if (RARRAY_LEN(rval) < nn) {
8679		- errno = 2;
	8679	+ errnum = 2;
8680	8680	goto err;
8681	8681	}
8682	8682	if (rb_obj_is_kind_of((RARRAY_PTR(rval))[0], rb_cNumeric)) {
8683	8683	/* Array of 3nn numbers /
8684	8684	if (RARRAY_LEN(rval) < nn * 3) {
8685		- errno = 2;
	8685	+ errnum = 2;
8686	8686	goto err;
8687	8687	}
8688	8688	for (i = 0; i < nn; i++) {
8689	8689	for (j = 0; j < 3; j++) {
8690	8690	aval = rb_protect(rb_Float, (RARRAY_PTR(rval))[i * 3 + j], &status);
8691	8691	if (status != 0) {
8692		- errno = 3;
	8692	+ errnum = 3;
8693	8693	goto err;
8694	8694	}
8695	8695	dval[j] = NUM2DBL(aval);

		@@ -8707,18 +8707,18 @@ s_Molecule_FitCoordinates(int argc, VALUE *argv, VALUE self)
8707	8707	} else {
8708	8708	aval = rb_protect(rb_ary_to_ary, aval, &status);
8709	8709	if (status != 0) {
8710		- errno = 3;
	8710	+ errnum = 3;
8711	8711	goto err;
8712	8712	}
8713	8713	if (RARRAY_LEN(aval) < 3) {
8714		- errno = 4;
	8714	+ errnum = 4;
8715	8715	status = i;
8716	8716	goto err;
8717	8717	}
8718	8718	for (j = 0; j < 3; j++) {
8719	8719	VALUE aaval = rb_protect(rb_Float, (RARRAY_PTR(aval))[j], &status);
8720	8720	if (status != 0) {
8721		- errno = 3;
	8721	+ errnum = 3;
8722	8722	goto err;
8723	8723	}
8724	8724	dval[j] = NUM2DBL(aaval);

		@@ -8740,17 +8740,17 @@ s_Molecule_FitCoordinates(int argc, VALUE *argv, VALUE self)
8740	8740	} else {
8741	8741	wval = rb_protect(rb_ary_to_ary, wval, &status);
8742	8742	if (status != 0) {
8743		- errno = 3;
	8743	+ errnum = 3;
8744	8744	goto err;
8745	8745	}
8746	8746	if (RARRAY_LEN(wval) < nn) {
8747		- errno = 5;
	8747	+ errnum = 5;
8748	8748	goto err;
8749	8749	}
8750	8750	for (i = 0; i < nn; i++) {
8751	8751	VALUE wwval = rb_protect(rb_Float, (RARRAY_PTR(wval))[i], &status);
8752	8752	if (status != 0) {
8753		- errno = 3;
	8753	+ errnum = 3;
8754	8754	goto err;
8755	8755	}
8756	8756	weights[i] = NUM2DBL(wwval);

		@@ -8758,27 +8758,27 @@ s_Molecule_FitCoordinates(int argc, VALUE *argv, VALUE self)
8758	8758	}
8759	8759	dval[0] = s_Molecule_FitCoordinates_Sub(mol, ig, ref, weights, tr);
8760	8760	if (dval[0] < 0) {
8761		- errno = 6;
	8761	+ errnum = 6;
8762	8762	goto err;
8763	8763	}
8764		- errno = 0;
	8764	+ errnum = 0;
8765	8765	err:
8766	8766	IntGroupIteratorRelease(&iter);
8767	8767	free(ref);
8768	8768	free(weights);
8769		- if (errno == 0) {
	8769	+ if (errnum == 0) {
8770	8770	return rb_ary_new3(2, ValueFromTransform(&tr), rb_float_new(dval[0]));
8771		- } else if (errno == 1) {
	8771	+ } else if (errnum == 1) {
8772	8772	rb_raise(rb_eMolbyError, "frame index (%d) is out of range", status);
8773		- } else if (errno == 2) {
	8773	+ } else if (errnum == 2) {
8774	8774	rb_raise(rb_eMolbyError, "insufficient number of reference coordinates");
8775		- } else if (errno == 3) {
	8775	+ } else if (errnum == 3) {
8776	8776	rb_jump_tag(status);
8777		- } else if (errno == 4) {
	8777	+ } else if (errnum == 4) {
8778	8778	rb_raise(rb_eMolbyError, "less than 3 elements for index %d of reference coordinates", status);
8779		- } else if (errno == 5) {
	8779	+ } else if (errnum == 5) {
8780	8780	rb_raise(rb_eMolbyError, "insufficient number of weight values");
8781		- } else if (errno == 6) {
	8781	+ } else if (errnum == 6) {
8782	8782	rb_raise(rb_eMolbyError, "matrix calculation failed during coordinate fitting");
8783	8783	}
8784	8784	return Qnil; /* Not reached */

--- a/MolLib/Ruby_bind/ruby_dialog.c

+++ b/MolLib/Ruby_bind/ruby_dialog.c

		@@ -1773,26 +1773,26 @@ s_RubyDialog_doTableAction(VALUE val)
1773	1773	vp[3] = (void *)(intptr_t)(NUM2INT(rb_Integer(retval)));
1774	1774	return retval;
1775	1775	} else if (sym == sOnGetValueSymbol) {
1776		- args[1] = INT2NUM((int)vp[3]);
1777		- args[2] = INT2NUM((int)vp[4]);
	1776	+ args[1] = INT2NUM((intptr_t)vp[3]);
	1777	+ args[2] = INT2NUM((intptr_t)vp[4]);
1778	1778	retval = s_RubyDialog_CallActionProc(self, pval, 3, args);
1779	1779	retval = rb_str_to_str(retval);
1780	1780	vp[5] = strdup(EncodedStringValuePtr(retval));
1781	1781	return retval;
1782	1782	} else if (sym == sOnSetValueSymbol) {
1783		- args[1] = INT2NUM((int)vp[3]);
1784		- args[2] = INT2NUM((int)vp[4]);
	1783	+ args[1] = INT2NUM((intptr_t)vp[3]);
	1784	+ args[2] = INT2NUM((intptr_t)vp[4]);
1785	1785	args[3] = Ruby_NewEncodedStringValue2((char *)vp[5]);
1786	1786	retval = s_RubyDialog_CallActionProc(self, pval, 4, args);
1787	1787	vp[6] = (void *)(intptr_t)(NUM2INT(rb_Integer(retval)));
1788	1788	return retval;
1789	1789	} else if (sym == sOnDragSelectionToRowSymbol) {
1790		- args[1] = INT2NUM((int)vp[3]);
	1790	+ args[1] = INT2NUM((intptr_t)vp[3]);
1791	1791	retval = s_RubyDialog_CallActionProc(self, pval, 2, args);
1792	1792	return retval;
1793	1793	} else if (sym == sIsItemEditableSymbol) {
1794		- args[1] = INT2NUM((int)vp[3]);
1795		- args[2] = INT2NUM((int)vp[4]);
	1794	+ args[1] = INT2NUM((intptr_t)vp[3]);
	1795	+ args[2] = INT2NUM((intptr_t)vp[4]);
1796	1796	retval = s_RubyDialog_CallActionProc(self, pval, 3, args);
1797	1797	vp[5] = (void *)(intptr_t)(RTEST(retval) ? 1 : 0);
1798	1798	return retval;

		@@ -1809,8 +1809,8 @@ s_RubyDialog_doTableAction(VALUE val)
1809	1809	float bg = (float )vp[6];
1810	1810	int i, n = 0;
1811	1811	VALUE cval;
1812		- args[1] = INT2NUM((int)vp[3]);
1813		- args[2] = INT2NUM((int)vp[4]);
	1812	+ args[1] = INT2NUM((intptr_t)vp[3]);
	1813	+ args[2] = INT2NUM((intptr_t)vp[4]);
1814	1814	retval = s_RubyDialog_CallActionProc(self, pval, 3, args);
1815	1815	if (retval == Qnil)
1816	1816	return Qnil;

		@@ -1834,8 +1834,8 @@ s_RubyDialog_doTableAction(VALUE val)
1834	1834	vp[7] = (void *)(intptr_t)n;
1835	1835	return retval;
1836	1836	} else if (sym == sHasPopUpMenuSymbol) {
1837		- args[1] = INT2NUM((int)vp[3]);
1838		- args[2] = INT2NUM((int)vp[4]);
	1837	+ args[1] = INT2NUM((intptr_t)vp[3]);
	1838	+ args[2] = INT2NUM((intptr_t)vp[4]);
1839	1839	retval = s_RubyDialog_CallActionProc(self, pval, 3, args);
1840	1840	if (retval == Qnil) {
1841	1841	vp[6] = (void *)0;

		@@ -1854,9 +1854,9 @@ s_RubyDialog_doTableAction(VALUE val)
1854	1854	}
1855	1855	return retval;
1856	1856	} else if (sym == sOnPopUpMenuSelectedSymbol) {
1857		- args[1] = INT2NUM((int)vp[3]);
1858		- args[2] = INT2NUM((int)vp[4]);
1859		- args[3] = INT2NUM((int)vp[5]);
	1857	+ args[1] = INT2NUM((intptr_t)vp[3]);
	1858	+ args[2] = INT2NUM((intptr_t)vp[4]);
	1859	+ args[3] = INT2NUM((intptr_t)vp[5]);
1860	1860	retval = s_RubyDialog_CallActionProc(self, pval, 4, args);
1861	1861	return retval;
1862	1862	} else return Qnil;

		@@ -1873,7 +1873,7 @@ RubyDialog_GetTableItemCount(RubyValue self, RDItem *ip)
1873	1873	return 0;
1874	1874	} else if (val == Qnil)
1875	1875	return 0;
1876		- else return (int)vp[3];
	1876	+ else return (intptr_t)vp[3];
1877	1877	}
1878	1878
1879	1879	void

		@@ -1899,7 +1899,7 @@ RubyDialog_SetTableItemText(RubyValue self, RDItem *ip, int row, int column, con
1899	1899	if (status != 0 \|\| val == Qnil) {
1900	1900	return -1;
1901	1901	} else
1902		- return (int)vp[6];
	1902	+ return (intptr_t)vp[6];
1903	1903	}
1904	1904
1905	1905	void

		@@ -1920,7 +1920,7 @@ RubyDialog_IsTableItemEditable(RubyValue self, RDItem *ip, int row, int column)
1920	1920	VALUE val = rb_protect(s_RubyDialog_doTableAction, (VALUE)vp, &status);
1921	1921	if (status != 0 \|\| val == Qnil)
1922	1922	return 0;
1923		- else return (int)vp[5];
	1923	+ else return (intptr_t)vp[5];
1924	1924	}
1925	1925
1926	1926	int

		@@ -1931,7 +1931,7 @@ RubyDialog_IsTableDragAndDropEnabled(RubyValue self, RDItem *ip, int row)
1931	1931	VALUE val = rb_protect(s_RubyDialog_doTableAction, (VALUE)vp, &status);
1932	1932	if (status != 0 \|\| val == Qnil)
1933	1933	return 0;
1934		- else return (int)vp[3];
	1934	+ else return (intptr_t)vp[3];
1935	1935	}
1936	1936
1937	1937	void

		@@ -1952,7 +1952,7 @@ RubyDialog_SetTableItemColor(RubyValue self, RDItem *ip, int row, int column, fl
1952	1952	VALUE val = rb_protect(s_RubyDialog_doTableAction, (VALUE)vp, &status);
1953	1953	if (status != 0 \|\| val == Qnil)
1954	1954	return 0;
1955		- else return (int)vp[7];
	1955	+ else return (intptr_t)vp[7];
1956	1956	}
1957	1957
1958	1958	int

		@@ -1963,7 +1963,7 @@ RubyDialog_HasPopUpMenu(RubyValue self, RDItem ip, int row, int column, char *
1963	1963	VALUE val = rb_protect(s_RubyDialog_doTableAction, (VALUE)vp, &status);
1964	1964	if (status != 0 \|\| val == Qnil)
1965	1965	return 0;
1966		- else return (int)vp[6];
	1966	+ else return (intptr_t)vp[6];
1967	1967	}
1968	1968
1969	1969	void

		@@ -2026,7 +2026,7 @@ s_RubyDialog_doItemAction(VALUE val)
2026	2026	VALUE flag;
2027	2027	RDItem ip = (RDItem )vp[1];
2028	2028	RDItem *ip2;
2029		- int options = (int)vp[2];
	2029	+ int options = (intptr_t)vp[2];
2030	2030	VALUE ival, itval, actval, tval, aval;
2031	2031	RubyDialog *dref = s_RubyDialog_GetController(self);
2032	2032	VALUE items = rb_iv_get(self, "_items");

		@@ -2210,7 +2210,7 @@ s_RubyDialog_doKeyAction(VALUE val)
2210	2210	{
2211	2211	void values = (void )val;
2212	2212	VALUE self = (VALUE)values[0];
2213		- int keyCode = (int)values[1];
	2213	+ int keyCode = (intptr_t)values[1];
2214	2214	VALUE actval = rb_iv_get(self, "_key_action");
2215	2215	if (actval != Qnil) {
2216	2216	if (TYPE(actval) == T_SYMBOL)

		@@ -2268,7 +2268,7 @@ RubyDialog_getFlexFlags(RubyValue self, RDItem *ip)
2268	2268	return -1;
2269	2269	else if (rval == Qnil)
2270	2270	return -1;
2271		- else return (int)args[2];
	2271	+ else return (intptr_t)args[2];
2272	2272	}
2273	2273
2274	2274	static VALUE

		@@ -2276,7 +2276,7 @@ s_RubyDialog_doCloseWindow(VALUE val)
2276	2276	{
2277	2277	void values = (void )val;
2278	2278	VALUE self = (VALUE)values[0];
2279		- int isModal = (int)values[1];
	2279	+ int isModal = (intptr_t)values[1];
2280	2280	if (isModal) {
2281	2281	rb_funcall(self, rb_intern("end_modal"), 1, INT2NUM(1));
2282	2282	return Qnil;

--- a/README

+++ b/README

		@@ -5,7 +5,7 @@
5	5	An Interactive Molecular Modeling Software
6	6	with Integrated Ruby Interpreter
7	7
8		- Version 1.0.2
	8	+ Version 1.1.0
9	9
10	10	Toshi Nagata
11	11

--- a/Version

+++ b/Version

		@@ -1 +1 @@
1		-version = "1.0.2"
	1	+version = "1.1.0"

--- a/bitmaps/jump_to_end.xpm

+++ b/bitmaps/jump_to_end.xpm

		@@ -1,5 +1,5 @@
1	1	/* XPM */
2		-static char *jump_to_end_xpm[] = {
	2	+static const char *jump_to_end_xpm[] = {
3	3	/* width height ncolors chars_per_pixel */
4	4	"9 9 7 1",
5	5	/* colors */

--- a/bitmaps/jump_to_start.xpm

+++ b/bitmaps/jump_to_start.xpm

		@@ -1,5 +1,5 @@
1	1	/* XPM */
2		-static char *jump_to_start_xpm[] = {
	2	+static const char *jump_to_start_xpm[] = {
3	3	/* width height ncolors chars_per_pixel */
4	4	"9 9 8 1",
5	5	/* colors */

--- a/bitmaps/pi00.xpm

+++ b/bitmaps/pi00.xpm

		@@ -1,5 +1,5 @@
1	1	/* XPM */
2		-static char *pi00[] = {
	2	+static const char *pi00[] = {
3	3	/* width height ncolors chars_per_pixel */
4	4	"12 12 20 1",
5	5	/* colors */

--- a/bitmaps/pi01.xpm

+++ b/bitmaps/pi01.xpm

		@@ -1,5 +1,5 @@
1	1	/* XPM */
2		-static char *pi01[] = {
	2	+static const char *pi01[] = {
3	3	/* width height ncolors chars_per_pixel */
4	4	"12 12 23 1",
5	5	/* colors */

--- a/bitmaps/pi02.xpm

+++ b/bitmaps/pi02.xpm

		@@ -1,5 +1,5 @@
1	1	/* XPM */
2		-static char *pi02[] = {
	2	+static const char *pi02[] = {
3	3	/* width height ncolors chars_per_pixel */
4	4	"12 12 19 1",
5	5	/* colors */

--- a/bitmaps/pi03.xpm

+++ b/bitmaps/pi03.xpm

		@@ -1,5 +1,5 @@
1	1	/* XPM */
2		-static char *pi03[] = {
	2	+static const char *pi03[] = {
3	3	/* width height ncolors chars_per_pixel */
4	4	"12 12 20 1",
5	5	/* colors */

--- a/bitmaps/pi04.xpm

+++ b/bitmaps/pi04.xpm

		@@ -1,5 +1,5 @@
1	1	/* XPM */
2		-static char *pi04[] = {
	2	+static const char *pi04[] = {
3	3	/* width height ncolors chars_per_pixel */
4	4	"12 12 24 1",
5	5	/* colors */

--- a/bitmaps/pi05.xpm

+++ b/bitmaps/pi05.xpm

		@@ -1,5 +1,5 @@
1	1	/* XPM */
2		-static char *pi05[] = {
	2	+static const char *pi05[] = {
3	3	/* width height ncolors chars_per_pixel */
4	4	"12 12 19 1",
5	5	/* colors */

--- a/bitmaps/pi06.xpm

+++ b/bitmaps/pi06.xpm

		@@ -1,5 +1,5 @@
1	1	/* XPM */
2		-static char *pi06[] = {
	2	+static const char *pi06[] = {
3	3	/* width height ncolors chars_per_pixel */
4	4	"12 12 19 1",
5	5	/* colors */

--- a/bitmaps/pi07.xpm

+++ b/bitmaps/pi07.xpm

		@@ -1,5 +1,5 @@
1	1	/* XPM */
2		-static char *pi07[] = {
	2	+static const char *pi07[] = {
3	3	/* width height ncolors chars_per_pixel */
4	4	"12 12 24 1",
5	5	/* colors */

--- a/bitmaps/pi08.xpm

+++ b/bitmaps/pi08.xpm

		@@ -1,5 +1,5 @@
1	1	/* XPM */
2		-static char *pi08[] = {
	2	+static const char *pi08[] = {
3	3	/* width height ncolors chars_per_pixel */
4	4	"12 12 20 1",
5	5	/* colors */

--- a/bitmaps/pi09.xpm

+++ b/bitmaps/pi09.xpm

		@@ -1,5 +1,5 @@
1	1	/* XPM */
2		-static char *pi09[] = {
	2	+static const char *pi09[] = {
3	3	/* width height ncolors chars_per_pixel */
4	4	"12 12 20 1",
5	5	/* colors */

--- a/bitmaps/pi10.xpm

+++ b/bitmaps/pi10.xpm

		@@ -1,5 +1,5 @@
1	1	/* XPM */
2		-static char *pi10[] = {
	2	+static const char *pi10[] = {
3	3	/* width height ncolors chars_per_pixel */
4	4	"12 12 23 1",
5	5	/* colors */

--- a/bitmaps/pi11.xpm

+++ b/bitmaps/pi11.xpm

		@@ -1,5 +1,5 @@
1	1	/* XPM */
2		-static char *pi11[] = {
	2	+static const char *pi11[] = {
3	3	/* width height ncolors chars_per_pixel */
4	4	"12 12 19 1",
5	5	/* colors */

--- a/bitmaps/play_backward.xpm

+++ b/bitmaps/play_backward.xpm

		@@ -1,5 +1,5 @@
1	1	/* XPM */
2		-static char *play_backward_xpm[] = {
	2	+static const char *play_backward_xpm[] = {
3	3	/* width height ncolors chars_per_pixel */
4	4	"9 9 12 1",
5	5	/* colors */

--- a/bitmaps/play_forward.xpm

+++ b/bitmaps/play_forward.xpm

		@@ -1,5 +1,5 @@
1	1	/* XPM */
2		-static char *play_forward_xpm[] = {
	2	+static const char *play_forward_xpm[] = {
3	3	/* width height ncolors chars_per_pixel */
4	4	"9 9 12 1",
5	5	/* colors */

--- a/bitmaps/rotate_bond.xpm

+++ b/bitmaps/rotate_bond.xpm

		@@ -1,5 +1,5 @@
1	1	/* XPM */
2		-static char *rotate_bond_xpm[] = {
	2	+static const char *rotate_bond_xpm[] = {
3	3	/* width height ncolors chars_per_pixel */
4	4	"18 18 30 2",
5	5	/* colors */

--- a/bitmaps/rotate_x.xpm

+++ b/bitmaps/rotate_x.xpm

		@@ -1,5 +1,5 @@
1	1	/* XPM */
2		-static char *rotate_x_xpm[] = {
	2	+static const char *rotate_x_xpm[] = {
3	3	/* width height ncolors chars_per_pixel */
4	4	"18 18 29 2",
5	5	/* colors */

--- a/bitmaps/rotate_y.xpm

+++ b/bitmaps/rotate_y.xpm

		@@ -1,5 +1,5 @@
1	1	/* XPM */
2		-static char *rotate_y_xpm[] = {
	2	+static const char *rotate_y_xpm[] = {
3	3	/* width height ncolors chars_per_pixel */
4	4	"18 18 26 1",
5	5	/* colors */

--- a/bitmaps/stop_mini.xpm

+++ b/bitmaps/stop_mini.xpm

		@@ -1,5 +1,5 @@
1	1	/* XPM */
2		-static char *stop_mini[] = {
	2	+static const char *stop_mini[] = {
3	3	/* width height ncolors chars_per_pixel */
4	4	"12 12 34 2",
5	5	/* colors */

--- a/bitmaps/stop_mini_dark.xpm

+++ b/bitmaps/stop_mini_dark.xpm

		@@ -1,5 +1,5 @@
1	1	/* XPM */
2		-static char *stop_mini_dark[] = {
	2	+static const char *stop_mini_dark[] = {
3	3	/* width height ncolors chars_per_pixel */
4	4	"12 12 42 2",
5	5	/* colors */

--- a/bitmaps/stop_mini_grey.xpm

+++ b/bitmaps/stop_mini_grey.xpm

		@@ -1,5 +1,5 @@
1	1	/* XPM */
2		-static char *stop_mini_grey[] = {
	2	+static const char *stop_mini_grey[] = {
3	3	/* width height ncolors chars_per_pixel */
4	4	"12 12 71 2",
5	5	/* colors */

--- a/build-win/molby64.iss

+++ b/build-win/molby64.iss

		@@ -1,7 +1,7 @@
1	1	; Create an installer that can install both 32bit and 64bit versions
2	2	[Setup]
3	3	AppName = Molby
4		-AppVerName = Molby (v1.0.2)
	4	+AppVerName = Molby (v1.1.0)
5	5	DefaultDirName = {pf}\Molby
6	6	DefaultGroupName = Molby
7	7	UninstallDisplayIcon = {app}\Molby.exe

--- a/build-win32/molby32.iss

+++ b/build-win32/molby32.iss

		@@ -1,6 +1,6 @@
1	1	[Setup]
2	2	AppName = Molby
3		-AppVerName = Molby (v1.0.2)
	3	+AppVerName = Molby (v1.1.0)
4	4	DefaultDirName = {pf}\Molby (32bit)
5	5	DefaultGroupName = Molby (32bit)
6	6	UninstallDisplayIcon = {app}\Molby.exe

--- a/build-xcode/Molby-Info.plist

+++ b/build-xcode/Molby-Info.plist

		@@ -34,11 +34,11 @@
34	34	<key>CFBundlePackageType</key>
35	35	<string>APPL</string>
36	36	<key>CFBundleShortVersionString</key>
37		- <string>Version 1.0.2</string>
	37	+ <string>Version 1.1.0</string>
38	38	<key>CFBundleSignature</key>
39	39	<string>????</string>
40	40	<key>CFBundleVersion</key>
41		- <string>v1.0.2</string>
	41	+ <string>v1.1.0</string>
42	42	<key>NSHumanReadableCopyright</key>
43	43	<string>Copyright 2008-2022 Toshi Nagata</string>
44	44	<key>NSPrincipalClass</key>

--- a/build-xcode/Molby.xcodeproj/project.pbxproj

+++ b/build-xcode/Molby.xcodeproj/project.pbxproj

		@@ -25,7 +25,6 @@
25	25
26	26	/* Begin PBXBuildFile section */
27	27	E403568428CF6A3D008E2C46 /* QuartzCore.framework in Frameworks / = {isa = PBXBuildFile; fileRef = E403568328CF6A3D008E2C46 / QuartzCore.framework */; };
28		- E403568528D0AD7E008E2C46 /* Carbon.framework in Frameworks / = {isa = PBXBuildFile; fileRef = E4FC7845183E51180064FB2E / Carbon.framework */; };
29	28	E403568628D0B7B0008E2C46 /* MyListCtrl.cpp in Sources / = {isa = PBXBuildFile; fileRef = E41251B728CD92A100E12983 / MyListCtrl.cpp */; };
30	29	E4059F9B28C46A6E0052B36B /* molby_icon.icns in Resources / = {isa = PBXBuildFile; fileRef = E4FC77D4183E4FF20064FB2E / molby_icon.icns */; };
31	30	E4059F9C28C46A6E0052B36B /* Scripts in Resources / = {isa = PBXBuildFile; fileRef = E4FC77D6183E4FFE0064FB2E / Scripts */; };

		@@ -114,6 +113,7 @@
114	113	E4589CEF28D5FD6400F55785 /* MyToggleButton.cpp in Sources / = {isa = PBXBuildFile; fileRef = E4589CEE28D5FD6400F55785 / MyToggleButton.cpp */; };
115	114	E4589CF028D5FD6400F55785 /* MyToggleButton.cpp in Sources / = {isa = PBXBuildFile; fileRef = E4589CEE28D5FD6400F55785 / MyToggleButton.cpp */; };
116	115	E4589CF228D6E89900F55785 /* docview.cpp in Sources / = {isa = PBXBuildFile; fileRef = E45B94611A170B9A008E95EB / docview.cpp */; };
	116	+ E4589CF528D82A5200F55785 /* Carbon.framework in Frameworks / = {isa = PBXBuildFile; fileRef = E4FC7845183E51180064FB2E / Carbon.framework */; };
117	117	E4653CB118A0CC7D0022377B /* textctrl_addition.mm in Sources / = {isa = PBXBuildFile; fileRef = E4653CB018A0CC7D0022377B / textctrl_addition.mm */; };
118	118	E4ACACE718C6D32300F08B67 /* ortep3 in Resources / = {isa = PBXBuildFile; fileRef = E4ACACE418C6D32300F08B67 / ortep3 */; };
119	119	E4D379A219C87C2200636D28 /* modalwindow.cpp in Sources / = {isa = PBXBuildFile; fileRef = E4D379A119C87C2200636D28 / modalwindow.cpp */; };

		@@ -321,7 +321,7 @@
321	321	E4FC784D183E51180064FB2E /* Cocoa.framework in Frameworks */,
322	322	E4FC784E183E51180064FB2E /* GLUT.framework in Frameworks */,
323	323	E4FC784F183E51180064FB2E /* IOKit.framework in Frameworks */,
324		- E403568528D0AD7E008E2C46 /* Carbon.framework in Frameworks */,
	324	+ E4589CF528D82A5200F55785 /* Carbon.framework in Frameworks */,
325	325	E4FC7850183E51180064FB2E /* OpenGL.framework in Frameworks */,
326	326	E4FC7852183E51180064FB2E /* System.framework in Frameworks */,
327	327	E4FC7A17183E51570064FB2E /* AppKit.framework in Frameworks */,

--- a/wxSources/ConsoleFrame.cpp

+++ b/wxSources/ConsoleFrame.cpp

		@@ -387,7 +387,7 @@ ConsoleFrame::OnEnterPressed()
387	387	void
388	388	ConsoleFrame::ShowHistory(bool up, bool option)
389	389	{
390		- char *p;
	390	+ const char *p;
391	391	if (commandHistoryIndex == -1 && valueHistoryIndex == -1) {
392	392	if (!up)
393	393	return;

--- a/wxSources/MoleculeView.cpp

+++ b/wxSources/MoleculeView.cpp

		@@ -407,7 +407,6 @@ MoleculeView::OnDraw(wxDC *dc)
407	407	wxImage *img = CaptureGLCanvas(scale);
408	408	if (img != NULL) {
409	409	wxBitmap bitmap(*img);
410		- wxSize ppi = dc->GetPPI();
411	410	double sx, sy;
412	411	dc->GetUserScale(&sx, &sy);
413	412	dc->SetUserScale(sx / scale, sy / scale);

		@@ -930,7 +929,8 @@ MoleculeView::OnLeftDClickInListCtrl(wxMouseEvent &event)
930	929	if (mview->tableIndex >= kMainViewBondTableIndex && mview->tableIndex <= kMainViewImproperTableIndex /* && mview->mol->par != NULL */ ) {
931	930	int row, col, i;
932	931	char indices[64], names[64], types[64], value[20], partypes[64], params[3][20];
933		- char ptype, parstr;
	932	+ const char *ptype;
	933	+ char *parstr;
934	934	wxPoint pos = event.GetPosition();
935	935	if (!listctrl->FindItemAtPosition(pos, &row, &col) \|\| col < 4)
936	936	return;

		@@ -952,6 +952,7 @@ MoleculeView::OnLeftDClickInListCtrl(wxMouseEvent &event)
952	952	}
953	953	asprintf(&parstr, "%s %s %s", params[0], params[1], params[2]);
954	954	MolActionCreateAndPerform(mview->mol, SCRIPT_ACTION("sssssss"), "cmd_edit_local_parameter_in_mainview", ptype, indices, names, types, value, partypes, parstr);
	955	+ free(parstr);
955	956	}
956	957	}
957	958

--- a/wxSources/MyApp.cpp

+++ b/wxSources/MyApp.cpp

		@@ -627,7 +627,7 @@ MyApp::CreateMenuBar(int kind, wxMenu out_file_history_menu, wxMenu out_edit
627	627	return menu_bar;
628	628	}
629	629
630		-#if __WXMAC__
	630	+#if defined(__WXMAC__) \|\| defined(__WXOSX__)
631	631	/* When the application is launched without any documents, an empty document is opened.
632	632	This should be implemented by overriding this special method; parsing argc/argv does
633	633	not work, because the list of files is passed through an Apple Event. */

		@@ -646,53 +646,21 @@ MyApp::MacOpenFile(const wxString &fileName)
646	646	RequestOpenFilesByEvent(file);
647	647	}
648	648
649		-/* Open given files: instead of calling MacOpenFile() for each entry, build a file list
650		- and call MyApp::OnOpenFiles() */
651		-short
652		-MyApp::MacHandleAEODoc(const WXEVENTREF event, WXEVENTREF WXUNUSED(reply))
653		-{
654		- AEDescList docList;
655		- AEKeyword keywd;
656		- DescType returnedType;
657		- Size actualSize;
658		- long itemsInList;
659		- OSErr err;
660		- short i;
661		-
662		- return noErr; /* TODO: handle open Apple event */
663		-
664		- err = AEGetParamDesc((AppleEvent *)event, keyDirectObject, typeAEList, &docList);
665		- if (err != noErr)
666		- return err;
667		-
668		- err = AECountItems(&docList, &itemsInList);
669		- if (err != noErr)
670		- return err;
671		-
672		- ProcessSerialNumber PSN ;
673		- PSN.highLongOfPSN = 0 ;
674		- PSN.lowLongOfPSN = kCurrentProcess ;
675		- SetFrontProcess( &PSN ) ;
676		-
677		- wxString fName, fNameList;
678		- FSRef theRef ;
679		-
680		- for (i = 1; i <= itemsInList; i++)
681		- {
682		- AEGetNthPtr(
683		- &docList, i, typeFSRef, &keywd, &returnedType,
684		- (Ptr)&theRef, sizeof(theRef), &actualSize);
685		- // fName = wxMacFSRefToPath( &theRef ) ;
686		- fNameList.append(fName);
687		- fNameList.append(wxT("\n"));
	649	+void
	650	+MyApp::MacOpenFiles(const wxArrayString &fileNames)
	651	+{
	652	+ wxString fnames;
	653	+ int i, n;
	654	+ n = fileNames.GetCount();
	655	+ for (i = 0; i < n; i++) {
	656	+ fnames = fnames + fileNames[i];
	657	+ if (i < n - 1)
	658	+ fnames = fnames + wxT("\n");
688	659	}
689		-
690		- OnOpenFiles(fNameList);
691		-
692		- return noErr;
	660	+ OnOpenFiles(fnames);
693	661	}
694	662
695		-#endif
	663	+#endif // WXMAC
696	664
697	665	int
698	666	MyApp::OnExit(void)

		@@ -1444,10 +1412,8 @@ MyApp::CallSubProcess(const char cmdline, const char procname, int (*callback)
1444	1412	{
1445	1413	int status = 0;
1446	1414	int callback_result = 0;
1447		- int count = 0;
1448	1415	bool progress_panel = false;
1449	1416	char buf[256];
1450		- size_t len, len_total;
1451	1417	wxString cmdstr(cmdline, WX_DEFAULT_CONV);
1452	1418	wxLongLong startTime;
1453	1419

		@@ -1817,7 +1783,8 @@ AboutDialog::AboutDialog():
1817	1783	// \|
1818	1784	// \|-> copyright messages
1819	1785
1820		- char s1, s2, *s3;
	1786	+ const char *s1;
	1787	+ char s2, s3;
1821	1788	s1 = "Molby";
1822	1789	Molby_getDescription(&s2, &s3);
1823	1790	wxString str1(s1, WX_DEFAULT_CONV);

--- a/wxSources/MyApp.h

+++ b/wxSources/MyApp.h

		@@ -239,7 +239,7 @@ class MyApp: public wxApp
239	239	#if defined(__WXMAC__)
240	240	virtual void MacNewFile();
241	241	virtual void MacOpenFile(const wxString &fileName);
242		- virtual short MacHandleAEODoc(const WXEVENTREF event, WXEVENTREF WXUNUSED(reply));
	242	+ virtual void MacOpenFiles(const wxArrayString &fileNames);
243	243	#endif
244	244
245	245	void EnableTimerForDocument(MyDocument *doc);

--- a/wxSources/MyVersion.c

+++ b/wxSources/MyVersion.c

		@@ -15,7 +15,7 @@
15	15	GNU General Public License for more details.
16	16	*/
17	17
18		-const char *gVersionString = "v1.0.2";
	18	+const char *gVersionString = "v1.1.0";
19	19	const char *gCopyrightString = "Copyright (c) 2008-2022 Toshi Nagata";
20	20	/* The following are now defined in build/buildInfo.c, generated by record_build_date.sh */
21	21	/*int gRevisionNumber = 0;

--- a/wxSources/OpenGL_extensions.c

+++ b/wxSources/OpenGL_extensions.c

		@@ -63,7 +63,7 @@ InitializeOpenGLExtensions(void)
63	63	{
64	64	int n = 0;
65	65	if (p_inited != 0)
66		- return;
	66	+ return 0;
67	67	p_glIsRenderbufferEXT = (t_glIsRenderbufferEXT)wglGetProcAddress("glIsRenderbufferEXT");
68	68	if (p_glIsRenderbufferEXT == NULL)
69	69	n++;

--- a/wxSources/ProgressFrame.cpp

+++ b/wxSources/ProgressFrame.cpp

		@@ -108,7 +108,7 @@ ProgressFrame::SetInterruptValue(int value)
108	108	int
109	109	ProgressFrame::CheckInterrupt()
110	110	{
111		- if (this != NULL && m_interruptValue) {
	111	+ if (m_interruptValue) {
112	112	int save = m_interruptValue;
113	113	m_interruptValue = 0;
114	114	return save;

--- a/wxSources/RubyDialogFrame.cpp

+++ b/wxSources/RubyDialogFrame.cpp

		@@ -1294,38 +1294,41 @@ RubyDialogCallback_setFontForItem(RDItem *item, int size, int family, int style,
1294	1294	} else return;
1295	1295	if (size == 0)
1296	1296	size = font.GetPointSize();
	1297	+ wxFontFamily ffamily;
	1298	+ wxFontStyle fstyle;
	1299	+ wxFontWeight fweight;
1297	1300	if (family == 0)
1298		- family = wxFONTFAMILY_DEFAULT;
	1301	+ ffamily = wxFONTFAMILY_DEFAULT;
1299	1302	else {
1300		- family = (family == 2 ? wxFONTFAMILY_ROMAN :
	1303	+ ffamily = (family == 2 ? wxFONTFAMILY_ROMAN :
1301	1304	(family == 3 ? wxFONTFAMILY_SWISS :
1302	1305	(family == 4 ? wxFONTFAMILY_MODERN :
1303	1306	wxFONTFAMILY_DEFAULT)));
1304	1307	}
1305	1308	if (style == 0)
1306		- style = wxFONTSTYLE_NORMAL;
	1309	+ fstyle = wxFONTSTYLE_NORMAL;
1307	1310	else {
1308		- style = (style == 2 ? wxFONTSTYLE_SLANT :
	1311	+ fstyle = (style == 2 ? wxFONTSTYLE_SLANT :
1309	1312	(style == 3 ? wxFONTSTYLE_ITALIC :
1310	1313	wxFONTSTYLE_NORMAL));
1311	1314	}
1312	1315	if (weight == 0)
1313		- weight = wxFONTWEIGHT_NORMAL;
	1316	+ fweight = wxFONTWEIGHT_NORMAL;
1314	1317	else {
1315		- weight = (weight == 2 ? wxFONTWEIGHT_BOLD :
	1318	+ fweight = (weight == 2 ? wxFONTWEIGHT_BOLD :
1316	1319	(weight == 3 ? wxFONTWEIGHT_LIGHT :
1317	1320	wxFONTWEIGHT_NORMAL));
1318	1321	}
1319	1322	if (textctrl != NULL) {
1320	1323	wxTextAttr newAttr;
1321		- wxFont newFont(size, family, style, weight);
	1324	+ wxFont newFont(size, ffamily, fstyle, fweight);
1322	1325	newAttr.SetFont(newFont);
1323	1326	textctrl->SetDefaultStyle(newAttr);
1324	1327	#if __WXMAC__
1325	1328	textctrl->SetFont(newFont);
1326	1329	#endif
1327	1330	} else {
1328		- ctrl->SetFont(wxFont(size, family, style, weight));
	1331	+ ctrl->SetFont(wxFont(size, ffamily, fstyle, fweight));
1329	1332	wxString label = ctrl->GetLabel();
1330	1333	ctrl->SetLabel(_(""));
1331	1334	ctrl->SetLabel(label); /* Update the control size */

		@@ -1757,14 +1760,15 @@ RubyDialogCallback_setFont(RDDeviceContext dc, void *args)
1757	1760	float size = FromDCDIP(dcp, ((float )(args[i + 1])));
1758	1761	font.SetPointSize((int)size);
1759	1762	} else if (strcmp((const char *)args[i], "style") == 0) {
1760		- long style = (intptr_t)(args[i + 1]);
	1763	+ int style = (intptr_t)(args[i + 1]);
	1764	+ wxFontStyle fstyle;
1761	1765	switch (style) {
1762		- case 0: style = wxFONTSTYLE_NORMAL; break;
1763		- case 1: style = wxFONTSTYLE_ITALIC; break;
1764		- case 2: style = wxFONTSTYLE_SLANT; break;
1765		- default: style = wxFONTSTYLE_NORMAL; break;
	1766	+ case 0: fstyle = wxFONTSTYLE_NORMAL; break;
	1767	+ case 1: fstyle = wxFONTSTYLE_ITALIC; break;
	1768	+ case 2: fstyle = wxFONTSTYLE_SLANT; break;
	1769	+ default: fstyle = wxFONTSTYLE_NORMAL; break;
1766	1770	}
1767		- font.SetStyle(style);
	1771	+ font.SetStyle(fstyle);
1768	1772	} else if (strcmp((const char *)args[i], "family") == 0) {
1769	1773	wxFontFamily family;
1770	1774	j = (intptr_t)(args[i + 1]);

		@@ -1811,16 +1815,17 @@ RubyDialogCallback_setPen(RDDeviceContext dc, void *args)
1811	1815	pen.SetWidth((int)width);
1812	1816	} else if (strcmp((const char *)args[i], "style") == 0) {
1813	1817	long style = (intptr_t)(args[i + 1]);
	1818	+ wxPenStyle pstyle;
1814	1819	switch (style) {
1815		- case 0: style = wxSOLID; break;
1816		- case 1: style = wxTRANSPARENT; break;
1817		- case 2: style = wxDOT; break;
1818		- case 3: style = wxLONG_DASH; break;
1819		- case 4: style = wxSHORT_DASH; break;
1820		- case 5: style = wxDOT_DASH; break;
1821		- default: style = wxSOLID; break;
	1820	+ case 0: pstyle = wxPENSTYLE_SOLID; break;
	1821	+ case 1: pstyle = wxPENSTYLE_TRANSPARENT; break;
	1822	+ case 2: pstyle = wxPENSTYLE_DOT; break;
	1823	+ case 3: pstyle = wxPENSTYLE_LONG_DASH; break;
	1824	+ case 4: pstyle = wxPENSTYLE_SHORT_DASH; break;
	1825	+ case 5: pstyle = wxPENSTYLE_DOT_DASH; break;
	1826	+ default: pstyle = wxPENSTYLE_SOLID; break;
1822	1827	}
1823		- pen.SetStyle(style);
	1828	+ pen.SetStyle(pstyle);
1824	1829	}
1825	1830	}
1826	1831	}

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