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[Jmol-commits] SF.net SVN: jmol:[10191] trunk/Jmol-FAH/src/org/jmol/fah
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From: <ni...@us...> - 2008-10-31 22:51:16
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Revision: 10191
http://jmol.svn.sourceforge.net/jmol/?rev=10191&view=rev
Author: nicove
Date: 2008-10-31 22:51:13 +0000 (Fri, 31 Oct 2008)
Log Message:
-----------
Folding@Home
Modified Paths:
--------------
trunk/Jmol-FAH/src/org/jmol/fah/Jmol-FAH.properties
trunk/Jmol-FAH/src/org/jmol/fah/checkxyz/Check.java
trunk/Jmol-FAH/src/org/jmol/fah/checkxyz/ConfigurationWindow.java
trunk/Jmol-FAH/src/org/jmol/fah/checkxyz/MailSender.java
Modified: trunk/Jmol-FAH/src/org/jmol/fah/Jmol-FAH.properties
===================================================================
--- trunk/Jmol-FAH/src/org/jmol/fah/Jmol-FAH.properties 2008-10-31 21:24:51 UTC (rev 10190)
+++ trunk/Jmol-FAH/src/org/jmol/fah/Jmol-FAH.properties 2008-10-31 22:51:13 UTC (rev 10191)
@@ -3,4 +3,4 @@
#
# Version
#
-Version=0.3
+Version=0.4
Modified: trunk/Jmol-FAH/src/org/jmol/fah/checkxyz/Check.java
===================================================================
--- trunk/Jmol-FAH/src/org/jmol/fah/checkxyz/Check.java 2008-10-31 21:24:51 UTC (rev 10190)
+++ trunk/Jmol-FAH/src/org/jmol/fah/checkxyz/Check.java 2008-10-31 22:51:13 UTC (rev 10191)
@@ -148,6 +148,7 @@
}
message.append(sentProjects.get(i).toString());
}
+ message.append(")");
} else {
message.append("No new .xyz files found");
}
@@ -161,6 +162,7 @@
}
message.append(sentAmbers.get(i).toString());
}
+ message.append(")");
} else {
message.append("No new .top/.trj files found");
}
@@ -219,7 +221,7 @@
if (project == null) {
System.out.print("Unable to find project number");
} else {
- System.out.print("Project n\xB0" + project + " -> ");
+ System.out.print("Project n" + project + " -> ");
processProjectNumber(file, project);
}
System.out.println();
@@ -349,31 +351,112 @@
* @param project Project identifier.
*/
private void processProjectNumber(File file, String project) {
- if (configuration.hasBeenSent(project)) {
+ if ((file == null) || (project == null)) {
+ return;
+ }
+
+ // Checking for Amber files
+ File topologyFile = null;
+ File trajectoryFile = null;
+ File logFile = null;
+ boolean pourcentEnough = false;
+ if (file.isFile() && "current.xyz".equalsIgnoreCase(file.getName())) {
+ for (int i = 0; (i < 10) && !pourcentEnough; i++) {
+ Object[] objects = new Object[] { Integer.valueOf(i) };
+ File infoFile = new File(file.getParentFile(), String.format("wuinfo_%1$02d.dat", objects));
+ if (infoFile.exists()) {
+ topologyFile = new File(file.getParentFile(), String.format("wudata_%1$02d.top", objects));
+ trajectoryFile = new File(file.getParentFile(), String.format("wudata_%1$02d.trj", objects));
+ logFile = new File(file.getParentFile(), String.format("logfile_%1$02d.txt", objects));
+ if (topologyFile.exists() && trajectoryFile.exists() && logFile.exists()) {
+ try {
+ BufferedReader reader = new BufferedReader(new FileReader(logFile));
+ try {
+ String line = null;
+ while (!pourcentEnough && (line = reader.readLine()) != null) {
+ if (line != null) {
+ if (line.contains("90%") ||
+ line.contains("91%") ||
+ line.contains("92%") ||
+ line.contains("93%") ||
+ line.contains("94%") ||
+ line.contains("95%") ||
+ line.contains("96%") ||
+ line.contains("97%") ||
+ line.contains("98%") ||
+ line.contains("99%")) {
+ pourcentEnough = true;
+ }
+ }
+ }
+ } catch (IOException e) {
+ //
+ } finally {
+ if (reader != null) {
+ try {
+ reader.close();
+ } catch (IOException e) {
+ //
+ }
+ }
+ }
+ } catch (FileNotFoundException e) {
+ //
+ }
+ } else {
+ topologyFile = null;
+ trajectoryFile = null;
+ logFile = null;
+ }
+ }
+ }
+ }
+
+ // Checking if something needs to be sent
+ if (configuration.hasBeenSent(project) &&
+ ((topologyFile == null) || (trajectoryFile == null) || configuration.hasBeenSent("A_" + project))) {
System.out.print("Already sent by you");
return;
}
- if ((!availableProjects.exists()) || (!availableAmbersDownloaded)) {
+ if ((!availableProjects.exists()) || (!availableAmbers.exists())) {
downloadAvailableFiles();
}
updateExistingProjects();
- if (existingProjects.contains(project)) {
+ if (existingProjects.contains(project) &&
+ (existingAmbers.contains(project) || (topologyFile == null) || (trajectoryFile == null))) {
System.out.print("Project available on Jmol website");
return;
}
if ((!availableProjectsDownloaded) || (!availableAmbersDownloaded)) {
downloadAvailableFiles();
updateExistingProjects();
- if (existingProjects.contains(project)) {
+ if (existingProjects.contains(project) &&
+ (existingAmbers.contains(project) || (topologyFile == null) || (trajectoryFile == null))) {
System.out.print("Project available on Jmol website");
return;
}
}
try {
System.out.print("Found new project :)");
- MailSender sender = new MailSender(configuration, project, file, false);
+ File[] files = new File[4];
+ files[0] = file;
+ if ((topologyFile != null) && (trajectoryFile != null)) {
+ files[1] = topologyFile;
+ files[2] = trajectoryFile;
+ if (logFile != null) {
+ files[3] = logFile;
+ }
+ }
+ MailSender sender = new MailSender(configuration, project, files, false);
sender.sendMail();
- configuration.addSentFile(project);
+ if (!existingProjects.contains(project)) {
+ configuration.addSentFile(project);
+ sentProjects.add(project);
+ }
+ if (!existingAmbers.contains(project) && (topologyFile != null) && (trajectoryFile != null)) {
+ configuration.addSentFile("A_" + project);
+ sentAmbers.add(project);
+ }
} catch (Throwable e) {
outputError("Sending new file", e);
}
Modified: trunk/Jmol-FAH/src/org/jmol/fah/checkxyz/ConfigurationWindow.java
===================================================================
--- trunk/Jmol-FAH/src/org/jmol/fah/checkxyz/ConfigurationWindow.java 2008-10-31 21:24:51 UTC (rev 10190)
+++ trunk/Jmol-FAH/src/org/jmol/fah/checkxyz/ConfigurationWindow.java 2008-10-31 22:51:13 UTC (rev 10191)
@@ -459,7 +459,9 @@
config.setPassword(textUserPassword.getText());
config.setUserMail(textUserMail.getText());
config.setUserName(textUser.getText());
- MailSender sender = new MailSender(config, "XXXX", testFile, true);
+ File[] files = new File[1];
+ files[0] = testFile;
+ MailSender sender = new MailSender(config, "XXXX", files, true);
try {
sender.sendMail();
JOptionPane.showMessageDialog(
Modified: trunk/Jmol-FAH/src/org/jmol/fah/checkxyz/MailSender.java
===================================================================
--- trunk/Jmol-FAH/src/org/jmol/fah/checkxyz/MailSender.java 2008-10-31 21:24:51 UTC (rev 10190)
+++ trunk/Jmol-FAH/src/org/jmol/fah/checkxyz/MailSender.java 2008-10-31 22:51:13 UTC (rev 10191)
@@ -38,17 +38,17 @@
private Configuration config;
private String projectNum;
- private File projectFile;
+ private File[] projectFiles;
private boolean testing;
public MailSender(
Configuration configuration,
String project,
- File file,
+ File[] files,
boolean test) {
config = configuration;
projectNum = project;
- projectFile = file;
+ projectFiles = files;
testing = test;
}
@@ -76,13 +76,13 @@
if (testing) {
email.addTo(config.getUserMail(), config.getUserName());
} else {
- email.addTo("ni...@jm...", "FoldingAtHome XYZ Files");
+ email.addTo("ni...@jm...", "FoldingAtHome Files");
email.addCc(config.getUserMail(), config.getUserName());
}
email.setFrom(config.getUserMail(), config.getUserName());
- email.setSubject("FoldingAtHome XYZ file for project " + projectNum);
+ email.setSubject("FoldingAtHome file(s) for project " + projectNum);
email.setMsg(
- "This mail contains the XYZ file for project " + projectNum + ".\n" +
+ "This mail contains file(s) for project " + projectNum + ".\n" +
"It has been submitted by " + config.getUserName());
if ((config.getLogin() != null) && (!config.getLogin().equals("")) &&
(config.getPassword() != null) && (!config.getPassword().equals(""))) {
@@ -92,12 +92,18 @@
}
// Create the attachments
- EmailAttachment attachment = new EmailAttachment();
- attachment.setPath(projectFile.getAbsolutePath());
- attachment.setDisposition(EmailAttachment.ATTACHMENT);
- attachment.setDescription("FoldingAtHome XYZ file for project " + projectNum);
- attachment.setName(projectFile.getName());
- email.attach(attachment);
+ if (projectFiles != null) {
+ for (int i = 0; i < projectFiles.length; i++) {
+ if (projectFiles[i] != null) {
+ EmailAttachment attachment = new EmailAttachment();
+ attachment.setPath(projectFiles[i].getAbsolutePath());
+ attachment.setDisposition(EmailAttachment.ATTACHMENT);
+ attachment.setDescription("FoldingAtHome file for project " + projectNum);
+ attachment.setName(projectFiles[i].getName());
+ email.attach(attachment);
+ }
+ }
+ }
// Send
email.send();
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