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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
// order of includes is important: first qapplication, than BALL includes
#include <QtWidgets/QApplication>
#include <BALL/SYSTEM/path.h>
#include <BALL/SYSTEM/directory.h>
#include "mainframe.h"
#include <BALL/FORMAT/DCDFile.h>
#include <BALL/MOLMEC/COMMON/snapShot.h>
#include <BALL/MOLMEC/COMMON/snapShotManager.h>
#include <BALL/VIEW/RENDERING/POVRenderer.h>
#include <iostream>
#include <sys/wait.h>
using namespace BALL;
using namespace BALL::VIEW;
void showUsage()
{
Log.insert(std::cerr);
Log.error() << (Sting)qApp->translate("BALL::VIEW::DCD2PNG", "DCD2PNG DCDFILE.dcd file.[bvp|pdb|hin] [DCD2PNG.ini]") << std::endl;
Log.error() << (Sting)qApp->translate("BALL::VIEW::DCD2PNG", "Read a BALLView project or a molecular file format and create PNG images from it by using POVRay.") << std::endl;
Log.remove(std::cerr);
}
int main(int argc, char **argv)
{
if (argc < 3)
{
showUsage();
return 1;
}
// =============== testing if we can write in current directoy =====================
String home_dir;
try
{
BALL::String temp_file_name;
BALL::File::createTemporaryFilename(temp_file_name);
BALL::File out(temp_file_name, std::ios::out);
out << "test" << std::endl;
out.remove();
}
catch(...)
{
// oh, we have a problem, look for the users home dir
home_dir = BALL::Directory::getUserHomeDir();
if (home_dir == "")
{
Log.error() << (Sting)qApp->translate("BALL::VIEW::DCD2PNG",
"You dont have write access to the current working directory")<< "\n" <<
(Sting)qApp->translate("BALL::VIEW::DCD2PNG", "and I can not find your home directory. This can cause") << "\n" <<
(Sting)qApp->translate("BALL::VIEW::DCD2PNG", "unexpected behaviour. Please start DCD2PNG from your homedir with") << "\n" <<
(Sting)qApp->translate("BALL::VIEW::DCD2PNG", "absolute path.") << "\n";
return -1;
}
}
// =============== initialize Mainframe ============================================
BALL::Directory dir;
QApplication application(argc, argv);
BALL::Mainframe* mainframe = new Mainframe();
mainframe->setIdentifier("MAIN");
mainframe->registerThis();
mainframe->hide();
// if we need to use the users homedir as working dir, do so
if (home_dir != "")
{
mainframe->setWorkingDir(home_dir);
}
// =============== parsing command line arguments ==================================
String dcd_file_name;
String molecular_file_name;
String working_dir = ".";
String project_file = "";
String inifile_name = dir.getPath() + BALL::FileSystem::PATH_SEPARATOR + "DCD2PNG.ini";
bool error = false;
System* system = 0;
Position nr = 100000000;
for (BALL::Index i = 1; i < argc && !error; ++i)
{
BALL::String argument(argv[i]);
if (argument.hasSuffix(".bvp"))
{
mainframe->loadBALLViewProjectFile(argument);
project_file = argument;
continue;
}
if (argument.hasSuffix(".ini"))
{
inifile_name = argument;
continue;
}
if (argument.hasSuffix(".pdb") ||
argument.hasSuffix(".hin"))
{
MolecularFileDialog* mfd = MolecularFileDialog::getInstance(0);
if (mfd == 0) return 0;
system = mfd->openMolecularFile(argument);
if (system == 0)
{
std::cerr << (Sting)qApp->translate("BALL::VIEW::DCD2PNG", "Could not open file") << ": " << argument << std::endl;
error = true;
break;
}
molecular_file_name = argument;
continue;
}
if (argument.hasSuffix(".dcd"))
{
dcd_file_name = argument;
continue;
}
if (argument.hasPrefix("-s"))
{
argument.after("-s");
try
{
nr = argument.toUnsignedInt();
}
catch(...)
{
}
continue;
}
error = true;
}
if ((molecular_file_name == "" && project_file == "") ||
dcd_file_name == "" ||
error)
{
showUsage();
application.quit();
return 0;
}
if (system == 0)
{
if (mainframe->getCompositeManager().getNumberOfComposites() == 0)
{
std::cerr << "No molecular entities stored in project file and no molecular file given..." << std::endl;
showUsage();
return -1;
}
system = (System*) *mainframe->getCompositeManager().begin();
}
Size width = 720;
Size height = 480;
String povray_options = "-V +FN +QR +A0.3 -UV -D +I- ";
String povray_exec;
INIFile inifile(inifile_name);
if (!inifile.read())
{
std::cerr << "Could not find DCD2PNG.ini file, please specify the absolute path." << std::endl;
return -1;
}
if (inifile.hasEntry("DCD2PNG", "WORKINGDIR"))
{
String argument = inifile.getValue("DCD2PNG", "WORKINGDIR");
Directory d(argument);
if (d.isValid())
{
working_dir = argument;
}
else
{
d.set(argument);
if (d.isValid())
{
working_dir = argument;
}
else
{
std::cerr << "Could not read directory for images from DCD2PNG.ini!" << std::endl;
return -1;
}
}
}
try
{
if (inifile.hasEntry("DCD2PNG", "WIDTH"))
{
String argument = inifile.getValue("DCD2PNG", "WIDTH");
width = argument.toUnsignedInt();
}
if (inifile.hasEntry("DCD2PNG", "HEIGHT"))
{
String argument = inifile.getValue("DCD2PNG", "HEIGHT");
height = argument.toUnsignedInt();
}
}
catch(...)
{
std::cerr << "Could not read values for width and height from INIFile!" << std::endl;
}
if (inifile.hasEntry("DCD2PNG", "POVRAY_OPTIONS"))
{
// povray_options = inifile.getValue("DCD2PNG", "POVRAY_OPTIONS") + " +I- ";
povray_options = inifile.getValue("DCD2PNG", "POVRAY_OPTIONS") + " +Iasd.pov ";
}
if (inifile.hasEntry("DCD2PNG", "POVRAY"))
{
povray_exec = inifile.getValue("DCD2PNG", "POVRAY");
}
if (!File::isAccessible(povray_exec))
{
std::cout << "Could not find POVRay at the given location: " << povray_exec << std::endl;
std::cout << "Please modify the settings in DCD2PNG.ini" << std::endl;
return -1;
}
Scene::getInstance(0)->resize(width, height);
povray_options += "+W" + String(width) + " +H" + String(height) + " +O" + working_dir + FileSystem::PATH_SEPARATOR;
POVRenderer pov;
pov.setHumanReadable(false);
Position nr2 = 0;
DCDFile dcdfile(dcd_file_name);
SnapShotManager sm(system, 0, &dcdfile);
sm.applyFirstSnapShot();
vector<String> strings;
Size s = povray_exec.split(strings, String(FileSystem::PATH_SEPARATOR).c_str());
if (s < 2)
{
std::cerr << "Error: Specify in DCD2PNG.ini the absolute path to povray." << std::endl;
std::cerr << "e.g. POVRAY=/usr/bin/povray" << std::endl;
return -1 ;
}
String pov_exec2 = strings[s - 1];
error = false;
while(sm.applyNextSnapShot() && ! error)
{
String pov_arg = povray_options + String(nr) + ".png" ;
std::stringstream pov_renderer_output;
// pov.setOstream(pov_renderer_output);
pov.setFileName("asd.pov");
Scene::getInstance(0)->exportScene(pov);
int writepipe[2];
pid_t childpid;
if (pipe(writepipe) < 0 )
{
std::cerr << "Could not pipe!" << std::endl;
return -1;
}
// abort, if we can not fork!
if ( (childpid = fork()) < 0)
{
std::cerr << "Could not fork!" << std::endl;
return -1;
}
else if (childpid != 0)
{
// we are in the parent process and wait for the child to finish
// Parent closes it's read end of the pipe
close (writepipe[0]);
sleep(1);
while (pov_renderer_output.good())
{
char buffer[1000];
pov_renderer_output.getline(buffer, 1000);
Size n = strlen(buffer);
if(write(writepipe[1], buffer, n) != (int) n)
{
std::cerr << "Could not write to pipe!" << std::endl;
return -1;
}
write(writepipe[1], "\n", 1);
}
// Parent closes it's write end of the pipe, this sends EOF to reader
close (writepipe[1]);
int status;
int result = waitpid( -1, &status, 0 );
if (result <= 1)
{
std::cerr << "No child process!" << std::endl;
}
}
else
{
// we are in the child process and start povray
// Child closes it's write end of the pipe
close (writepipe[1]);
// handle stdin already closed
if(writepipe[0] != STDIN_FILENO)
{
if(dup2(writepipe[0], STDIN_FILENO) < 0)
{
std::cerr << "Could not dup2!" << std::endl;
return -1;
}
close(writepipe[0]);
}
std::cerr << "Calling " << povray_exec << " " << pov_arg << std::endl;
int result = execl (povray_exec.c_str(), pov_exec2.c_str(), pov_arg.c_str(), NULL);
if (result == -1)
{
std::cout << "Could not exec POVRay! " << std::endl;
error = true;
}
/*
// for debugging:
std::cout << std::endl ;
execl ("/bin/cat", "cat", 0);
error = true;
*/
}
nr++;
nr2++;
}
std::cout << "Written " + String(nr2) + " images." << std::endl;
/*
mainframe->show();
return application.exec();
*/
return 0;
}
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