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arcan1s
2013-08-08 06:40:06 +04:00
parent 8a37a3cbab
commit 020d912704
10 changed files with 332 additions and 53 deletions
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219
mathmech/update_fields.cpp Normal file
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#include <QDir>
#include <math.h>
#include "update_fields.h"
#include "mainwindow.h"
#include "ui_mainwindow.h"
#include <stdio.h>
Update_fields::Update_fields(MainWindow *wid) :
parent(wid)
{
}
void Update_fields::setup_def_statgen()
{
// set work directory
parent->ui->statgen_lineEdit_workDir->setText(parent->ui->trj_lineEdit_workDir->text());
// set mask
parent->ui->statgen_lineEdit_input->setText(parent->ui->trj_lineEdit_output->text());
// set steps
parent->ui->statgen_spinBox_stepsLast->setValue(parent->ui->trj_spinBox_steps->value());
// set cell size
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
input = QFileInfo(input).absoluteFilePath();
else
input = QFileInfo(QDir(parent->ui->trj_lineEdit_workDir->text()), input).absoluteFilePath();
QFile inp_trj(input);
bool exists = inp_trj.open(QIODevice::ReadOnly);
if (!exists)
return;
if (parent->ui->trj_comboBox_type->currentIndex() == 0)
{
for (int i=0; i<3; 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();
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
cellY = 10 * tmp_str[3].remove(tmp_str[3].count()-1, 1).toFloat();
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
cellZ = 10 * tmp_str[4].remove(tmp_str[4].count()-2, 1).toFloat();
}
else if (parent->ui->trj_comboBox_type->currentIndex() == 1)
{
inp_trj.readLine();
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
cellX = tmp_str[0].toFloat();
cellY = tmp_str[1].toFloat();
cellZ = tmp_str[2].toFloat();
}
else
return;
inp_trj.close();
parent->ui->statgen_doubleSpinBox_cellX->setValue(cellX);
parent->ui->statgen_doubleSpinBox_cellY->setValue(cellY);
parent->ui->statgen_doubleSpinBox_cellZ->setValue(cellZ);
}
void Update_fields::setup_def_envir()
{
// set work directory
parent->ui->envir_lineEdit_workDir->setText(parent->ui->trj_lineEdit_workDir->text());
// set cell size
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
input = QFileInfo(input).absoluteFilePath();
else
input = QFileInfo(QDir(parent->ui->trj_lineEdit_workDir->text()), input).absoluteFilePath();
QFile inp_trj(input);
bool exists = inp_trj.open(QIODevice::ReadOnly);
if (!exists)
return;
if (parent->ui->trj_comboBox_type->currentIndex() == 0)
{
for (int i=0; i<3; 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();
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
cellY = 10 * tmp_str[3].remove(tmp_str[3].count()-1, 1).toFloat();
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
cellZ = 10 * tmp_str[4].remove(tmp_str[4].count()-2, 1).toFloat();
}
else if (parent->ui->trj_comboBox_type->currentIndex() == 1)
{
inp_trj.readLine();
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
cellX = tmp_str[0].toFloat();
cellY = tmp_str[1].toFloat();
cellZ = tmp_str[2].toFloat();
}
else
return;
inp_trj.close();
parent->ui->envir_doubleSpinBox_cellX->setValue(cellX);
parent->ui->envir_doubleSpinBox_cellY->setValue(cellY);
parent->ui->envir_doubleSpinBox_cellZ->setValue(cellZ);
}
void Update_fields::setup_def_radf()
{
// set work directory
parent->ui->radf_lineEdit_workDir->setText(parent->ui->trj_lineEdit_workDir->text());
// set mask
parent->ui->radf_lineEdit_input->setText(parent->ui->trj_lineEdit_output->text());
// set steps
parent->ui->radf_spinBox_stepsLast->setValue(parent->ui->trj_spinBox_steps->value());
// set cell size
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
input = QFileInfo(input).absoluteFilePath();
else
input = QFileInfo(QDir(parent->ui->trj_lineEdit_workDir->text()), input).absoluteFilePath();
QFile inp_trj(input);
bool exists = inp_trj.open(QIODevice::ReadOnly);
if (!exists)
return;
if (parent->ui->trj_comboBox_type->currentIndex() == 0)
{
for (int i=0; i<3; 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();
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
cellY = 10 * tmp_str[3].remove(tmp_str[3].count()-1, 1).toFloat();
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
cellZ = 10 * tmp_str[4].remove(tmp_str[4].count()-2, 1).toFloat();
}
else if (parent->ui->trj_comboBox_type->currentIndex() == 1)
{
inp_trj.readLine();
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
cellX = tmp_str[0].toFloat();
cellY = tmp_str[1].toFloat();
cellZ = tmp_str[2].toFloat();
}
else
return;
inp_trj.close();
parent->ui->radf_doubleSpinBox_cellX->setValue(cellX);
parent->ui->radf_doubleSpinBox_cellY->setValue(cellY);
parent->ui->radf_doubleSpinBox_cellZ->setValue(cellZ);
}
void Update_fields::setup_def_pdb()
{
// set work directory
parent->ui->pdb_lineEdit_workDir->setText(parent->ui->trj_lineEdit_workDir->text());
// set cell size
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
input = QFileInfo(input).absoluteFilePath();
else
input = QFileInfo(QDir(parent->ui->trj_lineEdit_workDir->text()), input).absoluteFilePath();
QFile inp_trj(input);
bool exists = inp_trj.open(QIODevice::ReadOnly);
if (!exists)
return;
if (parent->ui->trj_comboBox_type->currentIndex() == 0)
{
for (int i=0; i<3; 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();
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
cellY = 10 * tmp_str[3].remove(tmp_str[3].count()-1, 1).toFloat();
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
cellZ = 10 * tmp_str[4].remove(tmp_str[4].count()-2, 1).toFloat();
}
else if (parent->ui->trj_comboBox_type->currentIndex() == 1)
{
inp_trj.readLine();
tmp_str = QString(inp_trj.readLine()).split(' ', QString::SkipEmptyParts);
cellX = tmp_str[0].toFloat();
cellY = tmp_str[1].toFloat();
cellZ = tmp_str[2].toFloat();
}
else
return;
inp_trj.close();
parent->ui->pdb_doubleSpinBox_cellX->setValue(cellX);
parent->ui->pdb_doubleSpinBox_cellY->setValue(cellY);
parent->ui->pdb_doubleSpinBox_cellZ->setValue(cellZ);
}