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Code Issues Projects Releases Wiki Activity

Added configuration interface

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This commit is contained in:
arcan1s
2013-08-09 23:25:18 +04:00
parent abf7bce7df
commit 1c238fcc81
28 changed files with 987 additions and 3760 deletions
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128
mathmech/start_events.cpp
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@ -82,25 +82,13 @@ void Start_events::start_trj(QString mm_trj_path)
parent->ui->tabWidget->setDisabled(true);
QString command;
command.append(mm_trj_path);
#ifdef _WIN32
if (input.contains("\\"))
#elif __linux
if (input.contains("/"))
#else
return;
#endif
if (input.contains(QDir::separator()))
command.append(" -i " + QFileInfo(input).absoluteFilePath());
else
command.append(" -i " + QFileInfo(QDir(workDir), input).absoluteFilePath());
command.append(" -t " + type);
command.append(" -s " + steps);
#ifdef _WIN32
if (atomType.contains("\\"))
#elif __linux
if (atomType.contains("/"))
#else
return;
#endif
if (atomType.contains(QDir::separator()))
command.append(" -a " + QFileInfo(atomType).absoluteFilePath());
else
command.append(" -a " + QFileInfo(QDir(workDir), atomType).absoluteFilePath());
@ -108,13 +96,7 @@ void Start_events::start_trj(QString mm_trj_path)
command.append(" -tt " + totalTypes);
if (parent->ui->trj_checkBox_log->checkState() == 2)
{
#ifdef _WIN32
if (log.contains("\\"))
#elif __linux
if (log.contains("/"))
#else
return;
#endif
if (log.contains(QDir::separator()))
command.append(" -l " + QFileInfo(log).absoluteFilePath());
else
command.append(" -l " + QFileInfo(QDir(workDir), log).absoluteFilePath());
@ -203,13 +185,7 @@ void Start_events::start_statgen(QString mm_statgen_path)
parent->ui->tabWidget->setDisabled(true);
QString command;
command.append(mm_statgen_path);
#ifdef _WIN32
if (mask.contains("\\"))
#elif __linux
if (mask.contains("/"))
#else
return;
#endif
if (mask.contains(QDir::separator()))
command.append(" -i " + QFileInfo(mask).absoluteFilePath());
else
command.append(" -i " + QFileInfo(QDir(workDir), mask).absoluteFilePath());
@ -223,13 +199,7 @@ void Start_events::start_statgen(QString mm_statgen_path)
if (parent->ui->statgen_checkBox_atoms3->checkState() == 2)
command.append("," + atom3);
command.append(inter);
#ifdef _WIN32
if (output.contains("\\"))
#elif __linux
if (output.contains("/"))
#else
return;
#endif
if (output.contains(QDir::separator()))
command.append(" -o " + QFileInfo(output).absoluteFilePath());
else
command.append(" -o " + QFileInfo(QDir(workDir), output).absoluteFilePath());
@ -237,13 +207,7 @@ void Start_events::start_statgen(QString mm_statgen_path)
command.append(" -g " + depth);
if (parent->ui->statgen_checkBox_log->checkState() == 2)
{
#ifdef _WIN32
if (log.contains("\\"))
#elif __linux
if (log.contains("/"))
#else
return;
#endif
if (log.contains(QDir::separator()))
command.append(" -l " + QFileInfo(log).absoluteFilePath());
else
command.append(" -l " + QFileInfo(QDir(workDir), log).absoluteFilePath());
@ -312,24 +276,12 @@ void Start_events::start_envir(QString mm_envir_path)
parent->ui->tabWidget->setDisabled(true);
QString command;
command.append(mm_envir_path);
#ifdef _WIN32
if (input.contains("\\"))
#elif __linux
if (input.contains("/"))
#else
return;
#endif
if (input.contains(QDir::separator()))
command.append(" -i " + QFileInfo(input).absoluteFilePath());
else
command.append(" -i " + QFileInfo(QDir(workDir), input).absoluteFilePath());
command.append(" -c " + cellX + "," + cellY + "," + cellZ);
#ifdef _WIN32
if (output.contains("\\"))
#elif __linux
if (output.contains("/"))
#else
return;
#endif
if (output.contains(QDir::separator()))
command.append(" -o " + QFileInfo(output).absoluteFilePath());
else
command.append(" -o " + QFileInfo(QDir(workDir), output).absoluteFilePath());
@ -337,13 +289,7 @@ void Start_events::start_envir(QString mm_envir_path)
command.append(" -r " + radius);
if (parent->ui->statgen_checkBox_log->checkState() == 2)
{
#ifdef _WIN32
if (log.contains("\\"))
#elif __linux
if (log.contains("/"))
#else
return;
#endif
if (log.contains(QDir::separator()))
command.append(" -l " + QFileInfo(log).absoluteFilePath());
else
command.append(" -l " + QFileInfo(QDir(workDir), log).absoluteFilePath());
@ -440,13 +386,7 @@ void Start_events::start_radf(QString mm_radf_path)
parent->ui->tabWidget->setDisabled(true);
QString command;
command.append(mm_radf_path);
#ifdef _WIN32
if (mask.contains("\\"))
#elif __linux
if (mask.contains("/"))
#else
return;
#endif
if (mask.contains(QDir::separator()))
command.append(" -i " + QFileInfo(mask).absoluteFilePath());
else
command.append(" -i " + QFileInfo(QDir(workDir), mask).absoluteFilePath());
@ -457,13 +397,7 @@ void Start_events::start_radf(QString mm_radf_path)
else if (parent->ui->radf_comboBox_atom->currentIndex() == 1)
command.append(" -at " + atom0 + "," + atom1 + "," + atom2 +
"-" + atom3 + "," + atom4 + "," + atom5);
#ifdef _WIN32
if (output.contains("\\"))
#elif __linux
if (output.contains("/"))
#else
return;
#endif
if (output.contains(QDir::separator()))
command.append(" -o " + QFileInfo(output).absoluteFilePath());
else
command.append(" -o " + QFileInfo(QDir(workDir), output).absoluteFilePath());
@ -478,13 +412,7 @@ void Start_events::start_radf(QString mm_radf_path)
command.append(" -m ");
if (parent->ui->radf_checkBox_log->checkState() == 2)
{
#ifdef _WIN32
if (log.contains("\\"))
#elif __linux
if (log.contains("/"))
#else
return;
#endif
if (log.contains(QDir::separator()))
command.append(" -l " + QFileInfo(log).absoluteFilePath());
else
command.append(" -l " + QFileInfo(QDir(workDir), log).absoluteFilePath());
@ -571,48 +499,24 @@ void Start_events::start_pdb(QString mm_pdb_path)
command.append(mm_pdb_path);
if (parent->ui->pdb_comboBox_mode->currentIndex() == 0)
{
#ifdef _WIN32
if (agl.contains("\\"))
#elif __linux
if (agl.contains("/"))
#else
return;
#endif
if (agl.contains(QDir::separator()))
command.append(" -a " + QFileInfo(agl).absoluteFilePath());
else
command.append(" -a " + QFileInfo(QDir(workDir), agl).absoluteFilePath());
}
#ifdef _WIN32
if (input.contains("\\"))
#elif __linux
if (input.contains("/"))
#else
return;
#endif
if (input.contains(QDir::separator()))
command.append(" -i " + QFileInfo(input).absoluteFilePath());
else
command.append(" -i " + QFileInfo(QDir(workDir), input).absoluteFilePath());
if (parent->ui->pdb_comboBox_mode->currentIndex() == 0)
command.append(" -c " + cellX + "," + cellY + "," + cellZ);
#ifdef _WIN32
if (output.contains("\\"))
#elif __linux
if (output.contains("/"))
#else
return;
#endif
if (output.contains(QDir::separator()))
command.append(" -o " + QFileInfo(output).absoluteFilePath());
else
command.append(" -o " + QFileInfo(QDir(workDir), output).absoluteFilePath());
if (parent->ui->statgen_checkBox_log->checkState() == 2)
{
#ifdef _WIN32
if (log.contains("\\"))
#elif __linux
if (log.contains("/"))
#else
return;
#endif
if (log.contains(QDir::separator()))
command.append(" -l " + QFileInfo(log).absoluteFilePath());
else
command.append(" -l " + QFileInfo(QDir(workDir), log).absoluteFilePath());