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Added graphwindow

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arcan1s
2013-08-10 04:06:51 +04:00
parent 1c238fcc81
commit 063e74a472
19 changed files with 572 additions and 70 deletions
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76
mathmech/update_fields.cpp
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@ -24,13 +24,7 @@ void Update_fields::setup_def_statgen()
float cellX, cellY, cellZ;
QStringList tmp_str;
QString input = parent->ui->trj_lineEdit_input->text();
#ifdef _WIN32
if (input.contains("\\"))
#elif __linux
if (input.contains("/"))
#else
return;
#endif
if (input.contains(QDir::separator()))
input = QFileInfo(input).absoluteFilePath();
else
input = QFileInfo(QDir(parent->ui->trj_lineEdit_workDir->text()), input).absoluteFilePath();
@ -40,7 +34,10 @@ void Update_fields::setup_def_statgen()
return;
if (parent->ui->trj_comboBox_type->currentIndex() == 0)
{
for (int i=0; i<3; i++)
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
if (tmp_str[1] != QString("frame"))
return;
for (int i=0; i<2; i++)
inp_trj.readLine();
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
cellX = 10 * tmp_str[2].remove(tmp_str[2].count()-1, 1).toFloat();
@ -51,7 +48,11 @@ void Update_fields::setup_def_statgen()
}
else if (parent->ui->trj_comboBox_type->currentIndex() == 1)
{
inp_trj.readLine();
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
bool ok = false;
cellX = tmp_str[0].toInt(&ok, 10);
if (!ok)
return;
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
cellX = tmp_str[0].toFloat();
cellY = tmp_str[1].toFloat();
@ -73,13 +74,7 @@ void Update_fields::setup_def_envir()
float cellX, cellY, cellZ;
QStringList tmp_str;
QString input = parent->ui->trj_lineEdit_input->text();
#ifdef _WIN32
if (input.contains("\\"))
#elif __linux
if (input.contains("/"))
#else
return;
#endif
if (input.contains(QDir::separator()))
input = QFileInfo(input).absoluteFilePath();
else
input = QFileInfo(QDir(parent->ui->trj_lineEdit_workDir->text()), input).absoluteFilePath();
@ -89,7 +84,10 @@ void Update_fields::setup_def_envir()
return;
if (parent->ui->trj_comboBox_type->currentIndex() == 0)
{
for (int i=0; i<3; i++)
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
if (tmp_str[1] != QString("frame"))
return;
for (int i=0; i<2; i++)
inp_trj.readLine();
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
cellX = 10 * tmp_str[2].remove(tmp_str[2].count()-1, 1).toFloat();
@ -100,7 +98,11 @@ void Update_fields::setup_def_envir()
}
else if (parent->ui->trj_comboBox_type->currentIndex() == 1)
{
inp_trj.readLine();
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
bool ok = false;
cellX = tmp_str[0].toInt(&ok, 10);
if (!ok)
return;
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
cellX = tmp_str[0].toFloat();
cellY = tmp_str[1].toFloat();
@ -126,13 +128,7 @@ void Update_fields::setup_def_radf()
float cellX, cellY, cellZ;
QStringList tmp_str;
QString input = parent->ui->trj_lineEdit_input->text();
#ifdef _WIN32
if (input.contains("\\"))
#elif __linux
if (input.contains("/"))
#else
return;
#endif
if (input.contains(QDir::separator()))
input = QFileInfo(input).absoluteFilePath();
else
input = QFileInfo(QDir(parent->ui->trj_lineEdit_workDir->text()), input).absoluteFilePath();
@ -142,7 +138,10 @@ void Update_fields::setup_def_radf()
return;
if (parent->ui->trj_comboBox_type->currentIndex() == 0)
{
for (int i=0; i<3; i++)
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
if (tmp_str[1] != QString("frame"))
return;
for (int i=0; i<2; i++)
inp_trj.readLine();
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
cellX = 10 * tmp_str[2].remove(tmp_str[2].count()-1, 1).toFloat();
@ -153,7 +152,11 @@ void Update_fields::setup_def_radf()
}
else if (parent->ui->trj_comboBox_type->currentIndex() == 1)
{
inp_trj.readLine();
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
bool ok = false;
cellX = tmp_str[0].toInt(&ok, 10);
if (!ok)
return;
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
cellX = tmp_str[0].toFloat();
cellY = tmp_str[1].toFloat();
@ -175,13 +178,7 @@ void Update_fields::setup_def_pdb()
float cellX, cellY, cellZ;
QStringList tmp_str;
QString input = parent->ui->trj_lineEdit_input->text();
#ifdef _WIN32
if (input.contains("\\"))
#elif __linux
if (input.contains("/"))
#else
return;
#endif
if (input.contains(QDir::separator()))
input = QFileInfo(input).absoluteFilePath();
else
input = QFileInfo(QDir(parent->ui->trj_lineEdit_workDir->text()), input).absoluteFilePath();
@ -191,7 +188,10 @@ void Update_fields::setup_def_pdb()
return;
if (parent->ui->trj_comboBox_type->currentIndex() == 0)
{
for (int i=0; i<3; i++)
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
if (tmp_str[1] != QString("frame"))
return;
for (int i=0; i<2; i++)
inp_trj.readLine();
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
cellX = 10 * tmp_str[2].remove(tmp_str[2].count()-1, 1).toFloat();
@ -202,7 +202,11 @@ void Update_fields::setup_def_pdb()
}
else if (parent->ui->trj_comboBox_type->currentIndex() == 1)
{
inp_trj.readLine();
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
bool ok = false;
cellX = tmp_str[0].toInt(&ok, 10);
if (!ok)
return;
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
cellX = tmp_str[0].toFloat();
cellY = tmp_str[1].toFloat();