Commit 25839f9c authored by Andreas Tille's avatar Andreas Tille

Imported Upstream version 2.2.5

parent 84ebe706
CC = gcc
FLAGS=$(CFLAGS) -g -Wall `pkg-config --cflags gtk+-2.0 gthread-2.0` -DG_DISABLE_DEPRECATED -DGDK_DISABLE_DEPRECATED -DGDK_PIXBUF_DISABLE_DEPRECATED -DGTK_DISABLE_DEPRECATED
LIBS=`pkg-config --libs gtk+-2.0 gthread-2.0`
bindir ?= /usr/bin
.c.o:
$(CC) -c $(FLAGS) $(CPPFLAGS) $<
gdpc: main.o colors.o sort.o drawatoms.o readinput.o init.o rotate.o setup.o Makefile
$(CC) $(CFLAGS) -o gdpc main.o colors.o drawatoms.o init.o sort.o rotate.o setup.o readinput.o $(LIBS)
main.o: main.c parameters.h
colors.o: colors.c parameters.h
readinput.o: readinput.c parameters.h
drawatoms.o: drawatoms.c parameters.h
init.o: init.c parameters.h
sort.o: sort.c parameters.h
rotate.o: rotate.c parameters.h
setup.o: setup.c parameters.h tooltips.h
clean:
rm *.o gdpc
install:
install -p -m 755 -D gdpc $(bindir)/gdpc
uninstall:
rm $(bindir)/gdpc
CC = gcc -g
CFLAGS=-Wall `pkg-config --cflags gtk+-2.0 gthread-2.0` -DG_DISABLE_DEPRECATED -DGDK_DISABLE_DEPRECATED -DGDK_PIXBUF_DISABLE_DEPRECATED -DGTK_DISABLE_DEPRECATED
LIBS=`pkg-config --libs gtk+-2.0 gthread-2.0`
bindir ?= /usr/bin
.c.o:
$(CC) -c $(CFLAGS) $(CPPFLAGS) $<
gdpc: main.o colors.o sort.o drawatoms.o readinput.o init.o rotate.o setup.o Makefile
$(CC) $(CFLAGS) -o gdpc main.o colors.o drawatoms.o init.o sort.o rotate.o setup.o readinput.o $(LIBS)
main.o: main.c parameters.h
colors.o: colors.c parameters.h
readinput.o: readinput.c parameters.h
drawatoms.o: drawatoms.c parameters.h
init.o: init.c parameters.h
sort.o: sort.c parameters.h
rotate.o: rotate.c parameters.h
setup.o: setup.c parameters.h tooltips.h
clean:
rm *.o gdpc
install:
install gdpc $(bindir)
uninstall:
rm $(bindir)/gdpc
gdpc - a program for visualising molecular dynamic simulations
Copyright (C) 1999 Jonas Frantz
This program is free software; you can redistribute it and/or
modify it under the terms of the GNU General Public License
as published by the Free Software Foundation; either version 2
of the License, or (at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
My email : jonas.frantz@helsinki.fi
GDPC Documentation
------------------
Contents
1. Background
2. Usage
3. Input file formats
4. Source files and compiling
5. Reporting bugs, suggesting features and known bugs
6. Disclaimer
7. About the author
1. Background
gdpc was written as a replacement for dpc, a visualising tool for molecular
dynamics. dpc was written in the beginning of the nineties by Kai Nordlund
and had various problems with event handling. Kai asked me to take a look at
it, and fix it if I could. After writing the original sourcecode, Kai had
added many different features, leaving the code as a total mess. I had no
chance of making out what was wrong with it, so I decided to try to write it
from scratch using GTK+.
After some weeks of coding I had a usable version of it, which I asked some
of my co-workers to try out. They gave me suggestions for new features and
reported bugs, after some more weeks of coding I implemented the graphical
setupwindow so new users could learn to use it more easily.
After major code cleanup in version 1.20, I decided that gdpc was stable and
bugfree enough that it could be released to the public.
2. Usage
gdpc is mainly and most easily used from the graphical initialization
window but for faster usage I recommend the command prompt. Using gdpc:s
setupwindow is almost selfexplanatory, if you cant figure out what an option
does test it. From the command prompt the only necessary options to run gdpc
are the column representations and the input file.
The column representations describe from what column gdpc tries to read
certain data, the first column respresents x, the second y, the third z and
the fourth t. If the input file s in xyz format the t column will be skipt
and the time will be read from the input datas headers.
The usage of the program is pretty easy to learn and by doing some testing
with it you should learn to master it.
To demonstrate gdpc I have included som example input files liquid.out and
md.movie, the first being in general file format and the other in xyz file
format.
They can best be tested with the commands:
gdpc cube 30 m 2 d 20 erase 1 2 3 4 liquid.test
gdpc m 2 d 10 erase xyz 2 3 4 5 md.test
gdpc m 2 d 10 erase usetypes xyz 2 3 4 5 manytypes.test
3. Input file formats
The general file format consists of at least four coulmns of data, x,y,z and t.
gdpc will read data to each frame as long as the t column data stays the same,
after that it will plot the frame and start reading the next frames data.
The xyz file format consists of several frames with their own headers.
The header consists of two lines, the first consists of only one number the
number of atoms. The second line is a comment line and it is from this line
that gdpc searches for the time, actually it searches for the string "fs" and
when found it, takes the number before this string.
Then follows as many lines of atom data as was declared on the first row of
the header. After reading the data it expects another header directly after the
atomdata has ended.
4. Source files and compiling
main.c The programs main code can be found in this file. The confi-
guration of the window and calling other important functions
is handled here.
drawatoms.c This file contains functions relevant to the drawing of the
atoms to the pixmap and the rotating of the coordinates.
readinput.c This file contains the functions which handles reading the
data from the inputfile.
rotate.c This files contain functions that handle the buttons of the
rotations.
sort.c This file contains a function for sorting the coordinates.
colors.c In this file the settings of the colorschemes are made.
setup.c This file contains the functions for the graphical initialization
and setup window and everything related to it.
parameters.h This file contains default parameters for most options, the
version number and some basic structures.
To compile gdpc you have to have gtk+ 1.2 and Imlib installed on your system.
You can get gtk+ from http://www.gtk.org and you'll find Imlib on
http://www.labs.redhat.com/imlib. gdpc has to this moment been compiled on
Redhat 6.0 both i386 and alpha architectures, but I can't see why it
wouldn't be compilable in another environment as long as you have gtk+ and
Imlib properly installed.
5. Repoting bugs, suggesting features and known bugs
Bugs can be reported to jonas.frantz@helsinki.fi or to knordlun@beam.helsinki.fi.
Please include the input files you were running, the exact parameters used
when the bug occured and a reproducable description of what you're doing when
the bug occures.
New features can be reported to jonas.frantz@helsinki.fi, dont expect them to
get implemented at the moment of the arrival of the mail, because I got other
things to do as well.
No known bugs at this moment (V 1.28)
6. Disclaimer
I can not be held responsible if this program fucks up your computer. gdpc comes
with no warranty.
7. About the author
My name is Jonas Frantz, when I'm not working as a research associate at the
Helsinki University accelerator lab I'm studying physics. I'm beginning my third
year of studies this fall and I expect to finish them in about 1-2 years.
My summerjob at the acceleratorlab contains of simulating SiGe interface recoils,
if you don't know anything about materialphysics, I can tell you that it
practically about giving a kinetic energy to one atom in the SiGe interface and
to watch what happends (mostly atomic movement over the interface(mixing)).
Update Summer 2000 : This summer I'm simulation bond breaking in Si, primarily
electronic sputtering of Si surfaces and recristallisation of amorphous areas in
a-Si.
gdpc is a very useful tool in visualising what happends in the simulation and
creating demonstrative pictures from them and I have had lots of help from it.
This diff is collapsed.
gdpc (2.2.5-5) unstable; urgency=medium
* Fix implicit function declarations (Thanks for the patch to Logan Rosen
<logan@ubuntu.com>)
Closes: #815041
* cme fix dpkg-control
* hardening=+all
-- Andreas Tille <tille@debian.org> Tue, 12 Jul 2016 09:47:36 +0200
gdpc (2.2.5-4) unstable; urgency=medium
* Remove menu file
* cme fix dpkg-control
* Remove outdated d/README.source
* DEP5 fix
* Propagate hardening options
-- Andreas Tille <tille@debian.org> Sun, 24 Jan 2016 21:44:53 +0100
gdpc (2.2.5-3) unstable; urgency=low
* debian/control:
- cme fix dpkg-control
- debhelper 9
- Use anonscm in Vcs fields
* debian/copyright: DEP5
* debian/patches/40_fix_gcc4.8_build.patch:
Fix build with gcc4.8
Closes: #713652
-- Andreas Tille <tille@debian.org> Tue, 15 Oct 2013 14:55:27 +0200
gdpc (2.2.5-2) unstable; urgency=low
* Do not use -DGDK_DISABLE_DEPRECATED (Thanks to Colin Watson
<cjwatson@ubuntu.com> for the patch)
Closes: #642094 (LP: #770768)
* Standards-Version: 3.9.2 (no changes needed)
* debian/source/format: 3.0 (quilt)
* Debhelper 8 (control+compat)
-- Andreas Tille <tille@debian.org> Fri, 09 Dec 2011 08:22:35 +0100
gdpc (2.2.5-1) unstable; urgency=low
[ Charles Plessy ]
* Removed category 'Utility' in debian/gdpc.desktop as it was making the
entry appear in the 'Accessories' section of the GNOME menu.
[ Andreas Tille ]
* New upstream version
* debian/control:
- Added myself to uploaders
- Standards-Version: 3.8.3 (added README.source)
- Debhelper 7
- use quilt instead of simple-patchsys
* debian/rules: short rules file using dh
-- Andreas Tille <tille@debian.org> Sun, 04 Oct 2009 09:59:31 +0200
gdpc (2.2.4-3) unstable; urgency=low
* Updated gdpc homepage (Closes: #451920). Thanks Charles!
* Updated Standards-Version;
* Changed Maintainer to the Debian-Med Packaging Team;
* Added Vcs-* fields.
-- Nelson A. de Oliveira <naoliv@debian.org> Thu, 21 Feb 2008 23:08:51 -0300
gdpc (2.2.4-2) unstable; urgency=low
* Fix FTBS with newer libgtk2.0-0 versions (Launchpad #136973)
Thanks to Stephan Hermann
- Updated patches/Makefile.diff.
* Updated debhelper compat level to 5;
* Updated my email address;
* Updated Standards-Version to 3.7.2;
* Updated deprecated ${Source-Version} to ${source:Version};
* Updated menu file;
* Updated watch file;
* Updated FSF address in copyright file;
* Added desktop file (Launchpad #36377) - Thanks to Phil Bull.
-- Nelson A. de Oliveira <naoliv@debian.org> Mon, 03 Sep 2007 12:06:20 -0300
gdpc (2.2.4-1) unstable; urgency=low
* Initial Release (Closes: #306028).
-- Nelson A. de Oliveira <naoliv@gmail.com> Sat, 23 Apr 2005 15:50:09 -0300
Source: gdpc
Maintainer: Debian Med Packaging Team <debian-med-packaging@lists.alioth.debian.org>
Uploaders: Nelson A. de Oliveira <naoliv@debian.org>,
Andreas Tille <tille@debian.org>
Section: science
Priority: optional
Build-Depends: debhelper (>= 9),
libgtk2.0-dev
Standards-Version: 3.9.8
Vcs-Browser: https://anonscm.debian.org/viewvc/debian-med/trunk/packages/gdpc/trunk/
Vcs-Svn: svn://anonscm.debian.org/debian-med/trunk/packages/gdpc/trunk/
Homepage: http://www.frantz.fi/software/gdpc.php
Package: gdpc
Architecture: any
Depends: ${shlibs:Depends},
${misc:Depends}
Suggests: gdpc-examples (>= ${source:Version}),
gqview
Description: visualiser of molecular dynamic simulations
gpdc is a graphical program for visualising output data from
molecular dynamics simulations. It reads input in the standard xyz
format, as well as other custom formats, and can output pictures of
each frame in JPG or PNG format.
Package: gdpc-examples
Architecture: all
Depends: ${misc:Depends}
Recommends: gdpc (>= ${source:Version})
Description: example files for the gdpc program
gpdc is a graphical program for visualising output data from
molecular dynamics simulations. It reads input in the standard xyz
format, as well as other custom formats, and can output pictures of
each frame in JPG or PNG format.
.
This package contains examples to be used by the gdpc program.
Format: http://www.debian.org/doc/packaging-manuals/copyright-format/1.0/
Upstream-Name: gdpc
Source: http://www.frantz.fi/software/gdpc-2.2.5.tar.gz
Files: *
Copyright: © 1999-2009 Jonas Frantz <jonas.frantz@welho.com>
License: GPL-2+
Files: debian/*
Copyright: © 2005-2008 Oliveira <naoliv@gmail.com>
© 2009-2016 Andreas Tille <tille@debian.org>
License: GPL-2+
License: GPL-2+
This package is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
.
This package is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
.
You should have received a copy of the GNU General Public License
along with this package; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston,
MA 02110-1301, USA.
.
On Debian systems, the complete text of the GNU General
Public License can be found in `/usr/share/common-licenses/GPL-2'.
usr/bin
usr/share/applications
usr/share/doc/gdpc/examples/
*.test usr/share/doc/gdpc/examples/
.TH GDPC 1 "Sun, 24 Apr 2005 02:40:13 -0300"
.SH NAME
gdpc \- program for visualising molecular dynamic simulations
.SH DESCRIPTION
This manual page documents briefly the
.B gdpc
command.
.PP
\fBgdpc\fP is a program, written in C and utilizing GTK, for visualising molecular dynamic simulations. It is a very versatile program and could easily be used for other purposes. \fBgdpc\fP reads \fIxyz\fP input and custom formats and can write out pictures of the frames.
.SH AUTHOR
gdpc was written by Jonas Frantz <jonas.frantz@welho.com>.
.PP
This manual page was written by Nelson A. de Oliveira <naoliv@gmail.com>,
for the Debian project (but may be used by others).
gdpc for Debian
---------------
EXAMPLES:
---------
The gdpc-examples package contains 3 compressed files (liquid.test.gz,
manytypes.test.gz and md.test.gz) located at /usr/share/doc/gdpc/examples/.
They are included to demonstrate gdpc and to help in the process of learning
how to use the program.
KNOW CAVEATS:
-------------
When opening a xyz file and "Arbitrary file format" is selected on
"Input file format" (or the opposite), gdpc will quit.
If you run gdpc from the command prompt, it will display a message
like this:
Error in input file : 976
Are you sure the input file isn't in xyz format ?
Exiting.
You must verify the type of file that you are using and that you selected
before clicking on 'OK', or gdpc will quit if using a wrong combination
of formats.
KNOW PROBLEMS:
--------------
Rare: There seems to be a problem with GTK+ stability on the alpha platform,
gdpc exits on floating exception. Seems to depend on the value of the -O
parameter used during compilation.
Weird: There seems to be some strange bug in the rotation/reset orientation
department, sometimes reset orientation kills restart and setup button.
May be resolved, no confirmation.
-- Nelson A. de Oliveira <naoliv@gmail.com>, Thu, 02 Jun 2005 20:40:35 -0300
[Desktop Entry]
Version=1.0
Name=GDPC Molecular Dynamic Simulator
GenericName=Molecular Dynamic Simulator
Comment=Visualize molecular dynamic simulations
Comment[en_GB]=Visualise molecular dynamic simulations
Comment[pt_BR]=Visualizador de simulações moleculares dinâmicas
Type=Application
Exec=gdpc
Categories=Science;Chemistry;Education;
debian/gdpc.desktop usr/share/applications/
gdpc usr/bin
Author: Andreas Tille <tille@debian.org> (adopted from previous patch of Nelson A. de Oliveira <naoliv@debian.org>)
Description: Enable Debian comppile options into upstream Makefile,
Fix clean target to work also on already cleaned upstream source
--- gdpc-2.2.5.orig/Makefile
+++ gdpc-2.2.5/Makefile
@@ -4,10 +4,10 @@
bindir ?= /usr/bin
.c.o:
- $(CC) -c $(FLAGS) $(CPPFLAGS) $<
+ $(CC) -c $(COPTIONS) $(FLAGS) $(CPPFLAGS) $<
gdpc: main.o colors.o sort.o drawatoms.o readinput.o init.o rotate.o setup.o Makefile
- $(CC) $(CFLAGS) -o gdpc main.o colors.o drawatoms.o init.o sort.o rotate.o setup.o readinput.o $(LIBS)
+ $(CC) $(COPTIONS) $(CFLAGS) -o gdpc main.o colors.o drawatoms.o init.o sort.o rotate.o setup.o readinput.o $(LIBS)
main.o: main.c parameters.h
@@ -26,7 +26,7 @@
setup.o: setup.c parameters.h tooltips.h
clean:
- rm *.o gdpc
+ rm -f *.o gdpc
install:
install -p -m 755 -D gdpc $(bindir)/gdpc
Description: Drop -DGDK_DISABLE_DEPRECATED
gdpc uses GDK drawing functions, and needs to be converted to use Cairo
instead. In the meantime, -DGDK_DISABLE_DEPRECATED unhelpfully breaks
prototypes in release builds, so drop it.
Author: Colin Watson <cjwatson@ubuntu.com>
Bug-Ubuntu: https://bugs.launchpad.net/bugs/770768
Forwarded: no
Last-Update: 2011-09-19
Index: b/Makefile
===================================================================
--- a/Makefile
+++ b/Makefile
@@ -1,5 +1,5 @@
CC = gcc
-FLAGS=$(CFLAGS) -g -Wall `pkg-config --cflags gtk+-2.0 gthread-2.0` -DG_DISABLE_DEPRECATED -DGDK_DISABLE_DEPRECATED -DGDK_PIXBUF_DISABLE_DEPRECATED -DGTK_DISABLE_DEPRECATED
+FLAGS=$(CFLAGS) -g -Wall `pkg-config --cflags gtk+-2.0 gthread-2.0` -DG_DISABLE_DEPRECATED -DGDK_PIXBUF_DISABLE_DEPRECATED -DGTK_DISABLE_DEPRECATED
LIBS=`pkg-config --libs gtk+-2.0 gthread-2.0`
bindir ?= /usr/bin
Author: Andreas Tille <tille@debian.org>
Last-Update: Tue, 15 Oct 2013 14:55:27 +0200
Bug-Debian: http://bugs.debian.org/713652
Description: Add missing -lm to linker which is required when using gcc 4.8
--- a/Makefile
+++ b/Makefile
@@ -1,6 +1,6 @@
CC = gcc
FLAGS=$(CFLAGS) -g -Wall `pkg-config --cflags gtk+-2.0 gthread-2.0` -DG_DISABLE_DEPRECATED -DGDK_PIXBUF_DISABLE_DEPRECATED -DGTK_DISABLE_DEPRECATED
-LIBS=`pkg-config --libs gtk+-2.0 gthread-2.0`
+LIBS=`pkg-config --libs gtk+-2.0 gthread-2.0` -lm
bindir ?= /usr/bin
.c.o:
Author: Logan Rosen <logan@ubuntu.com>
Last-Update: Thu, 18 Feb 2016 01:24:16 -0500
Bug-Debian: https://bugs.debian.org/815041
Description: Fix implicit function declarations
--- gdpc-2.2.5.orig/main.c 2009-04-21 14:03:07.000000000 -0400
+++ gdpc-2.2.5/main.c 2013-04-07 21:21:46.208492431 -0400
@@ -848,9 +848,9 @@
#endif
for (i=0;i<NUMFRAMES;i++) {
- params->frameready[i] = g_mutex_new();
+ g_mutex_init (params->frameready[i]);
g_mutex_lock (params->frameready[i]);
- params->framedrawn[i] = g_mutex_new();
+ g_mutex_init (params->framedrawn[i]);
g_mutex_unlock (params->framedrawn[i]);
params->framedata[i] = NULL;
}
@@ -860,15 +860,15 @@
printf("Initialising filewait/EOF semaphores.\n");
#endif
- params->filewait = g_mutex_new();
+ g_mutex_init (params->filewait);
g_mutex_lock (params->filewait);
- params->atEnd = g_mutex_new();
+ g_mutex_init (params->atEnd);
#if Debug
printf("Starting filereading thread.\n");
#endif
- th_a = g_thread_create ((GThreadFunc) readinput, (gpointer) params, TRUE, NULL);
+ th_a = g_thread_try_new ("some_thread", (GThreadFunc) readinput, (gpointer) params, NULL);
if (th_a == NULL) {
fprintf(stderr, "Creating read thread failed.\n");
gtk_main_quit ();
@@ -927,8 +927,6 @@
/* Start gtk initialization. */
gtk_init (&argc, &argv);
- g_thread_init(NULL);
-
printf("\n gdpc version "GDPCVER", Copyright (C) 2000 Jonas Frantz\n");
printf(" gdpc comes with ABSOLUTELY NO WARRANTY; for details\n");
printf(" check out the documentation. This is free software, and\n");
Description: Propagate hardening options
Author: Andreas Tille <tille@debian.org>
Last-Update: Sun, 24 Jan 2016 21:44:53 +0100
--- a/Makefile
+++ b/Makefile
@@ -7,7 +7,7 @@ bindir ?= /usr/bin
$(CC) -c $(COPTIONS) $(FLAGS) $(CPPFLAGS) $<
gdpc: main.o colors.o sort.o drawatoms.o readinput.o init.o rotate.o setup.o Makefile
- $(CC) $(COPTIONS) $(CFLAGS) -o gdpc main.o colors.o drawatoms.o init.o sort.o rotate.o setup.o readinput.o $(LIBS)
+ $(CC) $(COPTIONS) $(CFLAGS) -o gdpc main.o colors.o drawatoms.o init.o sort.o rotate.o setup.o readinput.o $(LIBS) $(LDFLAGS)
main.o: main.c parameters.h
20_Makefile_options.patch
30_gdk_enable_deprecated.patch
40_fix_gcc4.8_build.patch
41_glib_deprecated_funcs.patch
hardening.patch
#!/usr/bin/make -f
export DEB_BUILD_MAINT_OPTIONS = hardening=+all
%:
dh $@
override_dh_auto_clean:
touch gdpc.o gdpc # ugly hack to let unpatched Makefile work
$(MAKE) clean
dh_clean
override_dh_auto_install:
# do nothing
version=3
http://www.frantz.fi/index.php?page=software software/gdpc-(.*)\.tar\.gz
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Summary: A program for visualising molecular dynamics simulations data
Name: gdpc
Version: 2.2.5
Release: 1
License: GPLv2+
Group: Applications/Engineering
URL: http://www.frantz.fi/software/gdpc.php
Source0: http://www.frantz.fi/software/gdpc-%{version}.tar.gz
BuildRoot: %{_tmppath}/%{name}-%{version}-%{release}-root-%(%{__id_u} -n)
BuildRequires: gtk2-devel
BuildRequires: pkgconfig
%description
gdpc is a program for visualising molecular dynamic simulations,
it is a very versatile program and could easily be used for other
purposes. gdpc reads xyz input as well as custom formats and can
output pictures of each frame.
%prep
%setup -q
%build
make CFLAGS="%{optflags}" %{?_smp_mflags}
%install
rm -rf %{buildroot}
install -D -p -m 755 gdpc %{buildroot}%{_bindir}/gdpc
%clean
rm -rf %{buildroot}
%files
%defattr(-,root,root,-)
%doc README liquid.test manytypes.test md.test gpl.txt
%{_bindir}/gdpc
%changelog
* Wed Apr 22 2009 Jussi Lehtola <jussi.lehtola@iki.fi> - 2.2.5-1
- Conversion of spec to Fedora.
* Tue Apr 21 2009 Jonas Frantz <jonas.frantz@welho.com> - 2.2.5
- Updated code to GTK+ 2.16 compliance
* Sat Dec 11 2004 Jonas Frantz <frantz@acclab.helsinki.fi>
- Version 2.2.4 released
* Wed Dec 8 2004 Jonas Frantz <frantz@acclab.helsinki.fi>
- Version 2.2.3.1 released
* Mon Dec 6 2004 Jonas Frantz <frantz@acclab.helsinki.fi>
- Version 2.2.3 released
* Sat Aug 9 2003 Jonas Frantz <jonas.frantz@helsinki.fi>
- Initial build
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/*
gdpc - a program for visualising molecular dynamic simulations
Copyright (C) 2000 Jonas Frantz
This file is part of gdpc.
gdpc is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
gdpc is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
Authors email : jonas.frantz@helsinki.fi
*/
/* Here the versionnumber of gdpc is set, that will be reported. */
#define GDPCVER "2.2.5"
/* Define the value of pi */
#define PI 3.141592654
/* Define how large the border around the simulationbox should be,
if you change this remember to also change it in main.c. */
#define xborder 15 /* X border */
#define yborder 15 /* Y border */
/* Allocate this many number of structures at a time in the non-xyz
format reading. */
#define ALLOCTHIS 1000
/* Number of colors to use, dont change this if youre not also
changing colors.c. */
#define NUMCOLORS 16
/* Define the size of the drawable area without borders */
#define drawXsize 600 /* X-size */
#define drawYsize 600 /* Y-size */
/* Define the minimum interval between timeouts, if you're animation is
very slow try reducing this. Though should not be changed unless needed */
#define MININTERVAL 0
/* Define the treshold of movement with the mousebutton pressed down before
rotating the atoms and drawing them. */
#define ROTATETRESHOLD 0
/* Define the maximum numbers of different atom types used in animation */
#define MAXTYPES 100
/* Define the default string to search for to determine xyz-format time */
#define TIMESTRING "fs"
/* Define the number of frames to be able to read in advance from input file, should be >0 */
#define NUMFRAMES 8