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org.gennbo.NBOFileHandler Maven / Gradle / Ivy
Jmol: an open-source Java viewer for chemical structures in 3D
package org.gennbo;
import java.awt.Dimension;
import java.awt.GridBagConstraints;
import java.awt.GridBagLayout;
import java.awt.event.ActionEvent;
import java.awt.event.ActionListener;
import java.beans.PropertyChangeEvent;
import java.beans.PropertyChangeListener;
import java.io.File;
import java.io.FileFilter;
import javajs.util.PT;
import javajs.util.SB;
import javax.swing.JButton;
import javax.swing.JFileChooser;
import javax.swing.JLabel;
import javax.swing.JOptionPane;
import javax.swing.JPanel;
import javax.swing.JTextField;
import javax.swing.filechooser.FileNameExtensionFilter;
import org.jmol.i18n.GT;
import org.jmol.util.Logger;
/**
* Builds the input file box found in all 4 modules JPanel containing file input
* box
*/
class NBOFileHandler extends JPanel {
protected static final String sep = System.getProperty("line.separator");
private static final String[] PLOT_AND_NBO_FILES = PT.split("31;32;33;34;35;36;37;38;39;40;41;42;46;nbo", ";");
final static String[] MODEL_OPEN_OPTIONS = { "",
"[.47] NBO Archive",
"[.gau] Gaussian Input",
"[.log] Gaussian Output",
"[.gms] GAMESS Input",
"[.adf] ADF Input",
"[.jag] Jaguar Input",
"[.mm2] MM2-Input",
"[.mnd] Dewar Type Input",
"[.mp] Molpro Input",
"[.nw] NWChem Input",
"[.orc] Orca Input",
"[.pqs] PQS Input",
"[.qc] Q-Chem Input",
"[.cfi] NBO Cartesian",
"[.vfi] NBO Valence",
"[.xyz] XYZ",
"[.mol] MOL"
};
final static String[] MODEL_SAVE_OPTIONS = { "",
"Gaussian Input [.gau]",
"Gaussian Input (Cartesian) [.gau]",
"Gaussian Input (z-Matrix) [.gau]",
"GAMESS Input [.gms]",
"ADF Input [.adf]",
"Jaguar Input [.jag]",
"MM2-Input [.mm2]",
"Dewar Type Input [.mnd]",
"Molpro Input [.mp]",
"NWChem Input [.nw]",
"Orca Input [.orc]",
"PQS Input [.pqs]",
"Q-Chem Input [.qc]",
"NBO Cartesian [.cfi]",
"NBO Valence [.vfi]",
"XYZ [.xyz]",
"MOL [.mol]"
};
private static final String GAUSSIAN_EXTENSIONS = ";gau;g09;com;";
static final String MODEL_SAVE_FILE_EXTENSIONS = ";adf;cfi;gms;jag;mm2;mnd;mol;mp;nw;orc;pqs;qc;vfi;xyz" + GAUSSIAN_EXTENSIONS;
static final String MODEL_OPEN_FILE_EXTENSIONS = MODEL_SAVE_FILE_EXTENSIONS + "log;47;";
static final String JMOL_EXTENSIONS = ";xyz;mol;";
// protected static final String RUN_EXTENSIONS = "47;gau;gms";
protected final static int MODE_MODEL_OPEN = 1;
protected final static int MODE_RUN = 2;
protected final static int MODE_VIEW = 3;
protected final static int MODE_SEARCH = 4;
protected final static int MODE_MODEL_SAVE = 5;
protected File file47;
protected JTextField tfDir, tfName, tfExt;
JButton btnBrowse;
/**
* working directory for input
*
* caution should be used here; this value in general should not
* differ from tfDir except in MODEL, where the user can set that.
*
*/
protected String fullFilePath;
/**
* file root for input
*
* caution should be used here; this value in general should not
* differ from tfName except for Model, where the user can set that.
*
*/
protected String jobStem;
private String useExt;
private NBODialog dialog;
private boolean canReRun;
private NBOFileAcceptor fileAcceptor;
private int dialogMode;
protected String saveFilter;
/**
* Create a new instance of an file open or save JPanel
*
* @param jobName
* @param mode
* @param dialog
* @param acceptor
*/
NBOFileHandler(String jobName, final int mode, NBODialog dialog,
NBOFileAcceptor acceptor) {
dialogMode = mode;
this.useExt = (mode == MODE_MODEL_SAVE ? "" : "47");
this.dialog = dialog;
fileAcceptor = acceptor;
canReRun = true;
fullFilePath = dialog.getWorkingPath();
setLayout(new GridBagLayout());
setMaximumSize(new Dimension(350, 40));
setPreferredSize(new Dimension(350, 40));
setMinimumSize(new Dimension(350, 40));
GridBagConstraints c = new GridBagConstraints();
boolean showExtensionField = (mode == MODE_MODEL_SAVE || mode == MODE_MODEL_OPEN);
boolean canEditTextFields = false;
c.gridx = 0;
c.gridy = 0;
c.fill = GridBagConstraints.BOTH;
(tfDir = new JTextField()).setPreferredSize(new Dimension(110, 20));
tfDir.setEditable(canEditTextFields);
// tfDir.addActionListener(new ActionListener() {
// @Override
// public void actionPerformed(ActionEvent e) {
//
// browsePressed();
// }
// });
tfDir.setText(fullFilePath);
add(tfDir, c);
c.gridx = 1;
(tfName = new JTextField()).setPreferredSize(new Dimension(120, 20));
tfName.setEditable(canEditTextFields);
// tfName.addActionListener(new ActionListener() {
// @Override
// public void actionPerformed(ActionEvent e) {
// // if(mode == MODEL)
// // showWorkpathDialogM(null,null);
// browsePressed();
// }
// });
add(tfName, c);
c.gridx = 0;
c.gridy = 1;
add(new JLabel(" folder"), c);
c.gridx = 1;
add(new JLabel(" name"), c);
c.gridx = 2;
c.gridy = 0;
(tfExt = new JTextField()).setPreferredSize(new Dimension(40, 20));
tfExt.setEditable(canEditTextFields);
tfExt.setText(useExt);
// tfExt.addActionListener(new ActionListener() {
// @Override
// public void actionPerformed(ActionEvent e) {
// browsePressed();
// }
// });
if (showExtensionField) {
add(tfExt, c);
c.gridy = 1;
add(new JLabel(" ext"), c);
}
c.gridx = 3;
c.gridy = 0;
c.gridheight = 2;
btnBrowse = new JButton(mode == MODE_MODEL_SAVE ? "Save" : "Browse");
btnBrowse.addActionListener(new ActionListener() {
@Override
public void actionPerformed(ActionEvent arg0) {
doFileBrowsePressed();
}
});
add(btnBrowse, c);
setJobStemAndTextFieldName(jobName);
setTextFields(fullFilePath, jobName, useExt);
}
/**
* Open a JDialog containing a JFileChooser
*
* @return false if aborting
*
*/
protected boolean doFileBrowsePressed() {
if (dialog.nboService.getWorkingMode() == NBODialog.DIALOG_RUN) {
int i = JOptionPane.showConfirmDialog(dialog,
"Warning, changing jobs while running GenNBO can effect output files."
+ "\nContinue anyway?");
if (i == JOptionPane.NO_OPTION)
return false;
}
final JFileChooser myChooser = new NBOFileChooser();
String folder = tfDir.getText().trim();
String name = tfName.getText();
String ext = tfExt.getText();
File newFile;
if (folder.length() > 0)
fullFilePath = NBOUtil.getWindowsFullNameFor(folder,
name.length() == 0 ? " " : name + (useExt.equals("47") ? ".47" : ""),
null);
switch (dialogMode) {
case MODE_MODEL_OPEN:
if (ext.length() == 0)
ext = "*";
String path = NBOUtil.getWindowsFullNameFor(folder, name, ext);
setFilterForDialog(myChooser, MODE_MODEL_OPEN, ext);
if (path.endsWith("/"))
path += "*.*";
if (!path.equals(""))
myChooser.setSelectedFile(new File(path));
if (myChooser.showDialog(this, GT._("Select")) != JFileChooser.APPROVE_OPTION)
break;
newFile = myChooser.getSelectedFile();
if (newFile.toString().indexOf(".") < 0) {
dialog.logError("File not found");
return false;
}
fullFilePath = newFile.getParent();
jobStem = NBOUtil.getJobStem(newFile);
ext = NBOUtil.getExt(newFile);
if (!PT.isOneOf(ext, MODEL_OPEN_FILE_EXTENSIONS)) {
dialog.logError("Invalid file extension");
break;
}
setTextFields(fullFilePath, jobStem, ext);
dialog.saveWorkingPath(fullFilePath);
fileAcceptor
.acceptFile(MODE_MODEL_OPEN, fullFilePath, jobStem, ext, null);
return true;
case MODE_MODEL_SAVE:
myChooser.addPropertyChangeListener(new PropertyChangeListener() {
@Override
public void propertyChange(PropertyChangeEvent evt) {
if (evt.getPropertyName().equals("fileFilterChanged")) {
saveFilter = myChooser.getFileFilter().getDescription();
}
}
});
useExt = ext = (ext.equals("") ? "cfi" : ext);
setFilterForDialog(myChooser, MODE_MODEL_SAVE,
fileAcceptor.getDefaultFilterOption());
String savePath = NBOUtil.getWindowsFolderFor(folder, fullFilePath);
if (name.equals("") && jobStem != null)
savePath = tfDir.getText()
+ "/"
+ (jobStem.equals("") ? "new.cfi" : jobStem
+ (ext.contains(";") ? "" : "." + ext));
else
savePath = tfDir.getText() + "/" + name + "." + ext;
myChooser.setSelectedFile(new File(savePath));
if (myChooser.showSaveDialog(this) != JFileChooser.APPROVE_OPTION)
break;
newFile = myChooser.getSelectedFile();
fullFilePath = newFile.getParent();
jobStem = NBOUtil.getJobStem(newFile);
ext = NBOUtil.getExt(newFile);
boolean isAll = (saveFilter.indexOf("(") < 0);
ext = (isAll ? ext
: saveFilter.indexOf(",") < 0 ? saveFilter.substring(saveFilter.indexOf("(*") + 3,
saveFilter.length() - 1)
: PT.isOneOf(ext, ";gau;g09;com;") ? ext
: "gau"
);
newFile = new File(fullFilePath, jobStem + "." + ext);
if (!PT.isOneOf(ext, MODEL_SAVE_FILE_EXTENSIONS)) {
dialog.logError("Invalid file extension");
break;
}
if (newFile.exists()
&& JOptionPane.showConfirmDialog(null, "File " + newFile
+ " already exists, do you want to overwrite contents?",
"Warning", JOptionPane.YES_NO_OPTION) != JOptionPane.YES_OPTION)
return false;
dialog.inputFileHandler.setTextFields(fullFilePath, jobStem, ext);
dialog.saveWorkingPath(fullFilePath);
fileAcceptor.acceptFile(MODE_MODEL_SAVE, fullFilePath,
NBOUtil.getJobStem(newFile), ext,
(isAll ? null : saveFilter.substring(0, saveFilter.indexOf("(*"))));
return true;
default:
myChooser.setFileFilter(new FileNameExtensionFilter(useExt, useExt));
myChooser.setSelectedFile(new File(fullFilePath));
if (myChooser.showDialog(this, GT._("Select")) != JFileChooser.APPROVE_OPTION)
break;
return loadSelectedFile(myChooser.getSelectedFile());
}
return false;
}
/**
* Set the file filters for the file dialog
*
* @param chooser
* @param mode
* @param defaultExt
*/
private static void setFilterForDialog(JFileChooser chooser, int mode,
String defaultExt) {
FileNameExtensionFilter defaultFilter = null;
if (defaultExt != null && PT.isOneOf(defaultExt, GAUSSIAN_EXTENSIONS))
defaultExt = "gau";
boolean isOpen = (mode == MODE_MODEL_OPEN);
String[] options = (isOpen ? MODEL_OPEN_OPTIONS
: MODEL_SAVE_OPTIONS);
String allFiles = (isOpen ? MODEL_OPEN_FILE_EXTENSIONS : MODEL_SAVE_FILE_EXTENSIONS);
String[] allExt = allFiles.substring(1, allFiles.length() - 1).split(";");
FileNameExtensionFilter[] filters = new FileNameExtensionFilter[options.length - 1];
for (int i = 1; i < options.length; i++) {
String option = options[i];
int pt = option.indexOf("[");
int pt2 = option.indexOf("]");
String label;
if (pt == 0) {
label = option.substring(pt2 + 1).trim();
} else {
label = option.substring(0, pt).trim();
}
String ext = option.substring(pt + 1, pt2).trim().substring(1);
String[] a = (ext.equals("gau") ? new String[] { "gau", "g09", "com" }
: new String[] { ext });
String ext2 = (ext.equals("gau") ? " (*.gau, *.g09, *.com)" : " (*." + ext + ")");
filters[i - 1] = new FileNameExtensionFilter(label + ext2, a);
if (defaultFilter == null
&& (ext.equals(defaultExt) || label.indexOf(defaultExt) >= 0))
defaultFilter = filters[i - 1];
}
for (int i = 0; i < filters.length; i++)
chooser.addChoosableFileFilter(filters[i]);
chooser.addChoosableFileFilter(new FileNameExtensionFilter("All NBOPro-" + (isOpen ? "Readable" : "Writable") + " Types", allExt));
chooser.setAcceptAllFileFilterUsed(true);
chooser.setMultiSelectionEnabled(false);
chooser.setFileHidingEnabled(true);
if (defaultFilter != null)
chooser.setFileFilter(defaultFilter);
}
/**
* standard load of file after user selection
* @param selectedFile
* @return true for convenience only
*/
protected boolean loadSelectedFile(File selectedFile) {
dialog.nboService.restartIfNecessary();
file47 = selectedFile;
if (dialog.dialogMode == NBODialog.DIALOG_MODEL)
return true;
if (!useExt.equals("47")) {
setJobStemAndTextFieldName(NBOUtil.getJobStem(file47));
dialog.modelPanel.loadModelFromNBO(fullFilePath, jobStem, useExt);
tfExt.setText(useExt);
return true;
}
canReRun = true;
setFile47(file47);
dialog.runPanel.doLogJobName(jobStem);
fullFilePath = file47.getParent();
dialog.saveWorkingPath(fullFilePath);
return true;
}
private void setJobStemAndTextFieldName(String name) {
tfName.setText(jobStem = name);
}
/**
* Sets up the input file, currently only support for .47/model input file
* types
*
* @param file47
*/
protected void setFile47(File file47) {
dialog.logValue("Input file=" + file47);
deletePlotAndNBOFiles(false); // clear CURRENT input file's server directory
this.file47 = file47;
if (file47.getName().indexOf(".") > 0)
jobStem = NBOUtil.getJobStem(file47);
if (dialog.modelOrigin == NBODialog.ORIGIN_NBO_ARCHIVE)
deletePlotAndNBOFiles(true);
setTextFields(file47.getParent(), jobStem, useExt);
if (!NBOUtil.getExt(file47).equals("47"))
return;
if (NBOUtil.fixPath(file47.getParent().toString()).equals(
dialog.nboService.getServerPath(null))) {
JOptionPane.showMessageDialog(this,
"Select a directory that does not contain the NBOServe executable,"
+ "\nor select a new location for your NBOServe executable");
return;
}
fullFilePath = file47.getParent();
boolean canLoad = true;
boolean isOK = true;
String msg = "";
if (dialog.dialogMode != NBODialog.DIALOG_MODEL && dialog.dialogMode != NBODialog.DIALOG_RUN) {
for (String nn : PLOT_AND_NBO_FILES) {
File f3 = newNBOFile(nn);
if (!f3.exists() || nn.equals("36") && f3.length() == 0) {
msg = "file " + f3 + " is missing or zero length";
// BH: But this means all || f3.length() == 0) {
isOK = false;
break;
}
}
}
if (!isOK) {
if (dialog.dialogMode != NBODialog.DIALOG_RUN) {
if (canReRun) {
canReRun = false;
dialog.runPanel.doRunGenNBOJob("PLOT");
} else {
dialog.alertError("Error occurred during run: " + msg);
}
return;
}
canLoad = false;
}
if (canLoad) {
// this will trigger setViewerBasis and doSetNewBasis and a file load
dialog.loadNewFile(new File(fullFilePath + "/" + jobStem + ".47"));
} else if (dialog.dialogMode == NBODialog.DIALOG_RUN) {
dialog.modelPanel.loadModelFromNBO(fullFilePath, jobStem, useExt);
setJobStemAndTextFieldName(jobStem);
tfExt.setText("47");
}
}
/**
* Read input parameters from .47 file
*
* @param doAll
* read the whole thing; else just for keywords (stops at $COORD)
*
* @return NBOFileData47
*/
private NBOFileData47 read47File(boolean doAll) {
NBOFileData47 fileData = new NBOFileData47();
String allKeywords = "";
SB data = new SB();
if (!NBOUtil.read47FileBuffered(file47, data, doAll))
return fileData;
String s = PT.trim(data.toString(), "\t\r\n ");
String[] tokens = PT.split(s, "$END");
if (tokens.length == 0)
return fileData;
SB preParams = new SB();
SB postParams = new SB();
SB params = preParams;
// ignore everything after the last $END token
for (int i = 0, n = tokens.length; i < n; i++) {
s = PT.trim(tokens[i], "\t\r\n ");
if (params == preParams && s.indexOf("$NBO") >= 0) {
String[] prePost = PT.split(s, "$NBO");
if (prePost[0].length() > 0)
params.append(s).append(sep);
allKeywords = PT.trim(prePost[1], "\t\r\n ");
params = postParams;
if (!doAll)
break;
continue;
}
params.append(s).append(sep).append("$END").append(sep);
}
dialog.logInfo("$NBO: " + allKeywords, Logger.LEVEL_INFO);
return fileData.set(PT.rep(preParams.toString(), "FORMAT=PRECISE", ""),
allKeywords, postParams.toString());
}
protected void deletePlotAndNBOFiles(boolean andUserDir) {
if (jobStem.length() == 0)
return;
for (String ext : PLOT_AND_NBO_FILES)
try {
new File(dialog.nboService.getServerPath(jobStem + "." + ext)).delete();
} catch (Exception e) {
// ignore
}
if (andUserDir)
for (String ext : PLOT_AND_NBO_FILES)
try {
NBOUtil.newNBOFile(file47, ext).delete();
} catch (Exception e) {
// ignore
}
file47 = null;
if (dialog.dialogMode == NBODialog.DIALOG_VIEW)
dialog.viewPanel.resetView();
}
protected void setTextFields(String dir, String name, String ext) {
if (dir != null)
tfDir.setText(dir);
if (name != null)
tfName.setText(name);
if (tfExt != null)
tfExt.setText(ext);
if (dir != null && name != null && ext != null) {
dialog.modelPanel.modelSetSaveParametersFromInput(this, dir, name, ext);
file47 = new File(dir + "\\" + name + "." + ext);
}
}
protected String getFileData(String fileName) {
return dialog.vwr.getAsciiFileOrNull(fileName);
}
boolean writeToFile(String fileName, String s) {
String ret = (s == null ? null : dialog.vwr.writeTextFile(fileName, s));
return (ret != null && ret.startsWith("OK"));
}
void setBrowseEnabled(boolean b) {
btnBrowse.setEnabled(b);
}
String getInputFileData(String nn) {
return getFileData(newNBOFile(nn).toString());
}
File newNBOFile(String nn) {
return NBOUtil.newNBOFile(file47, nn);
}
/**
* Fix a file name to be [A-Z0-9_]+
*
* @param name the name to fix, or if empty, the input file name truncated to a maximum of 10 digits
* @return fixed name replacing not-allowed characters with '_'
*/
String fixJobName(String name) {
if (name == null || (name = name.trim()).length() == 0)
name = jobStem;
for (int i = name.length(); --i >= 0;) {
char ch = name.charAt(i);
if (!Character.isLetterOrDigit(ch) && ch != '_')
name = name.substring(0, i) + "_" + name.substring(i + 1);
}
return name;
}
/**
*
* @param jobName
* @param keywords
* @param isRun
* @return [
*/
NBOFileData47 update47File(String jobName, String keywords, boolean isRun) {
if (!useExt.equals("47"))
return null;
String fileName47 = file47.getAbsolutePath();
NBOFileData47 fileData = read47File(true);
String oldData = (isRun ? getFileData(fileName47) : null);
String newFileData =
fileData.preParams
+ "$NBO\n "
+ "FILE=" + jobName + " " + keywords
+ " $END"
+ sep
+ fileData.postKeywordData;
if (writeToFile(fileName47, newFileData)) {
if (oldData != null)
writeToFile(fileName47 + "$", oldData);
fileData.noFileKeywords = keywords;
fileData.allKeywords = "FILE=" + jobName + " " + keywords;
dialog.runPanel.doLogJobName(jobName);
dialog.runPanel.doLogKeywords(keywords);
return fileData;
}
dialog.logInfo("Could not create " + fileName47, Logger.LEVEL_ERROR);
return null;
}
/**
* Check to see if the jobName (from file= or tfJobName) and the jobStem (loaded file stem)
* are the same, and if not, warn the user and offer them the opportunity to bail now.
* In no case do we allow saving to a new .nbo file with a different name from the .47 file.
*
* @param jobName
* @return true if user agrees or does not have to; false to bail
*/
boolean checkSwitch47To(String jobName) {
if (!jobName.equals(jobStem)) {
int i = JOptionPane
.showConfirmDialog(
null,
"Note: Plot files are being created with name \""
+ jobName
+ "\", which does not match your file name \""
+ jobStem
+ "\"\nTo continue, we must create a new .47 file \""
+ jobName
+ ".47\" so that all files related to this job are under the same name. Continue?",
"Warning", JOptionPane.YES_NO_OPTION);
if (i != JOptionPane.YES_OPTION)
return false;
String data = dialog.vwr.getAsciiFileOrNull(file47.getAbsolutePath());
setJobStemAndTextFieldName(jobName);
setTextFields(tfDir.getText(), jobName, "47");
if (data != null)
this.writeToFile(file47.getAbsolutePath(), data);
}
return true;
}
/**
* Delete all files ending with $
*/
void removeAllTemporaryRunFiles() {
File[] files = new File(fullFilePath).listFiles(new FileFilter() {
@Override
public boolean accept(File theFile) {
if (theFile.isFile()) {
return theFile.getName().endsWith("$");
}
return false;
}
});
for (File f : files)
deleteFile(f);
}
/**
* delete a file
*
* @param f
*/
void deleteFile(File f) {
try {
if (f.exists())
f.delete();
} catch (Exception e) {
System.out.println("Could not delete " + f);
}
}
/**
* just get the keywords from the .47 file, without FILE=xxxx
*
* @return NBO keywords
*/
String get47KeywordsNoFile() {
return read47File(false).noFileKeywords;
}
/**
* Checks to see that the .nbo file was created fully and, if not, deletes it,
* moving its contents to .err$, and deletes all plot files
*
* @param saveErr write the current .nbo as .err$ file
*
* @return true if .nbo file is OK
*/
boolean checkNBOComplete(boolean saveErr) {
deleteFile(newNBOFile("err$"));
String data = getInputFileData("nbo");
boolean isOK = data != null && data.contains("NBO analysis completed");
if (!isOK) {
deleteFile(newNBOFile("nbo"));
if (saveErr && data != null)
writeToFile(newNBOFile("err$").getAbsolutePath(), data);
writeToFile(newNBOFile("47").getAbsolutePath(), getInputFileData("47$"));
deletePlotFiles(fullFilePath);
}
deleteFile(newNBOFile("47$"));
deleteServerFiles();
return isOK;
}
/**
*
* Delete .3*, .nbo, and .4* in server directory
*
*/
private void deleteServerFiles() {
deletePlotFiles(null);
}
/**
* Delete .3*, .nbo, and .4* (other than .47 when path is not null)
* @param path optional user directory or null for cleaning the server directory
*/
void deletePlotFiles(String path) {
final boolean isServerPath = (path == null);
File[] files = new File(isServerPath ? dialog.nboService.getServerPath(null) : path).listFiles(new FileFilter() {
@Override
public boolean accept(File theFile) {
if (theFile.isFile()) {
String name = theFile.getName();
return (name.startsWith(jobStem + ".3")
|| name.startsWith(jobStem + ".4")
&& (isServerPath || name.indexOf(".47") < 0))
|| name.equals(jobStem + ".nbo");
}
return false;
}
});
for (File f : files)
deleteFile(f);
}
/**
*
* Get the proper code for the C_ESS record
*
* @param ext
* - extension to convert
* @param saveType
* - the combo box description, indicating Cartesian or z-matrix
* @return one of g, gc, gz, c, v, l, a, or mm if recognhized or ext if not
*/
static String getEss(String ext, String saveType) {
ext = ext.toLowerCase();
return (PT.isOneOf(ext, GAUSSIAN_EXTENSIONS) ?
(saveType != null && saveType.contains("Cartesian") ? "gc" : saveType.contains("z-matrix") ? "gz" : "g")
: ext.equals("cfi") || ext.equals("vfi")|| ext.equals("log") ? ext.substring(0, 1)
: ext.equals("47") ? "a"
: ext.equals("mm2") ? "mm"
: ext);
}
private class NBOFileChooser extends JFileChooser {
NBOFileChooser() {
super();
}
}
}
