def run_command(self, program, args):
if debug_run():
print "will run this command:", program, args
from PyQt4.Qt import QStringList, QProcess, QObject, SIGNAL, QDir
# modified from runSim.py
arguments = QStringList()
if sys.platform == 'win32':
program = "\"%s\"" % program # Double quotes needed by Windows. ###@@@ test this
### try it with blanks in output file name and in program name, once it works ###@@@
for arg in [program] + args:
if arg:
arguments.append(arg)
self.simProcess = simProcess = QProcess()
simProcess.setArguments(arguments)
simProcess.setWorkingDirectory(QDir(self.working_directory)) # in case it writes random files
if 1:
# report stdout/stderr
def blabout():
print "stdout:", simProcess.readStdout()
##e should also mention its existence in history, but don't copy it all there in case a lot
def blaberr():
text = str(simProcess.readStderr()) # str since it's QString (i hope it can't be unicode)
print "stderr:", text
env.history.message(redmsg("%s stderr: " % self.plugin_name + quote_html(text)))
# examples from CoNTub/bin/HJ:
# stderr: BAD INPUT
# stderr: Error: Indices of both tubes coincide
QObject.connect(simProcess, SIGNAL("readyReadStdout()"), blabout)
QObject.connect(simProcess, SIGNAL("readyReadStderr()"), blaberr)
started = simProcess.start() ###k what is this code? i forget if true means ok or error
if debug_run():
print "qprocess started:",started
while 1:
###e need to make it abortable! from which abort button? ideally, one on the dialog; maybe cancel button??
# on exception: simProcess.kill()
if simProcess.isRunning():
if debug_run():
print "still running"
time.sleep(1)
else:
time.sleep(0.1)
else:
break
if debug_run():
print "process done i guess: normalExit = %r, (if normal) exitStatus = %r" % \
(simProcess.normalExit(), simProcess.exitStatus())
if 1:
QObject.disconnect(simProcess, SIGNAL("readyReadStdout()"), blabout)
QObject.disconnect(simProcess, SIGNAL("readyReadStderr()"), blaberr)
if simProcess.normalExit():
return simProcess.exitStatus()
else:
return -1
def _launch_pcgamess(self):
"""
Run PC GAMESS (Windows only).
PC GAMESS creates 2 output files:
- the DAT file, called "PUNCH", is written to the directory from which
PC GAMESS is started. This is why we chdir to the Gamess temp directory
before we run PC GAMESS.
- the OUT file (aka the log file), which we name jigname.out.
Returns: 0 = Success
1 = Cancelled
2 = Failed
"""
oldir = os.getcwd() # Save current directory
jobDir = os.path.dirname(self.job_batfile)
os.chdir(jobDir) # Change directory to the GAMESS temp directory.
## print "Current directory is: ", jobDir
DATfile = os.path.join(jobDir, "PUNCH")
if os.path.exists(DATfile): # Remove any previous DAT (PUNCH) file.
print "run_pcgamess: Removing DAT file: ", DATfile
os.remove(DATfile)
# Hours wasted testing this undocumented tripe. Here's the deal: When using spawnv
# on Windows, any args that might have spaces must be delimited by double quotes.
# Mark 050530.
#program = "\"" + self.job_batfile + "\""
#args = [program, ]
# Here's the infuriating part. The 2nd arg to spawnv cannot have double quotes, but the
# first arg in args (the program name) must have the double quotes if there is a space in
# self.gms_program.
#print "program = ", program
#print "Spawnv args are %r" % (args,) # this %r remains (see above)
#os.spawnv(os.P_WAIT, self.job_batfile, args)
arg_list = ['-i', self.job_inputfile, '-o', self.job_outputfile]
args = QStringList()
for s in arg_list:
args.append(str(s))
process = QProcess()
process.start(self.server.program, args)
# Blocks for n millisconds until the process has started and started()
# signal is emitted. Returns true if the process was started successfullly.
if not process.waitForStarted(2000):
print "The process can't be started."
return 2
progressDialog = self.showProgress()
progressDialog.show()
i = 55
pInc = True
while process.state() == QProcess.Running:
env.call_qApp_processEvents(
) #bruce 050908 replaced qApp.processEvents()
if progressDialog.wasCanceled():
process.kill()
os.chdir(oldir)
return 1 # Job cancelled.
progressDialog.setValue(i)
if pInc:
if i < 75: i += 1
else: pInc = False
else:
if i > 55: i -= 1
else: pInc = True
# Do sth here
time.sleep(0.05)
if not process.state() == QProcess.Running:
break
progressDialog.setValue(100)
progressDialog.accept()
os.chdir(oldir)
self.gamessJig.outputfile = self.job_outputfile
return 0 # Success
def _launch_gamess(self):
oldir = os.getcwd() # Save current directory
####self.outputFile = QFile(self.job_outputfile)
####self.outputFile.open( IO_WriteOnly | IO_Append )
jobInputfile = os.path.basename(self.job_inputfile)
jobInputFile = jobInputfile[:-4]
jobOutputfile = self.job_outputfile #os.path.basename(self.job_outputfile)
### Notes: The following way to get the 'bin' works by assuming user didn't change the
### working directory after the atom runs, otherwise it will get problem.
filePath = os.path.dirname(os.path.abspath(sys.argv[0]))
program = os.path.normpath(filePath + '/../bin/rungms')
jobDir = os.path.dirname(self.job_batfile)
os.chdir(jobDir) # Change directory to the GAMESS temp directory.
# print "Current directory is: ", jobDir
executableFile = self.server.program
args = [program, jobInputFile, jobOutputfile,
executableFile] #, '01', '1']
self.process = QProcess()
for s in args:
self.process.addArgument(s)
####self.process.setCommunication(QProcess.Stdout)
print "The params for the QProcess run are: ", args
####self.fwThread = _FileWriting(self.outputFile)
self.jobTimer = QTimer(self)
self.progressDialog = JobProgressDialog(self.process, self.Calculation)
self.connect(self.process, SIGNAL('processExited ()'),
self.processDone)
#self.connect(self.process, SIGNAL('readyReadStdout()'), self.readOutData)
####self.fwThread.start()
if not self.process.start():
print "The process can't be started."
return 2
self.connect(self.jobTimer, SIGNAL('timeout()'), self.processTimeout)
self.stime = time.time()
self.jobTimer.start(1)
ret = self.progressDialog.exec_()
if ret == QDialog.Accepted:
retValue = 0
else:
retValue = 1
####self.fwThread.wait()
####bytes = self.process.readStdout()
####if bytes:
#####self.outputFile.writeBlock(bytes)
#####self.outputFile.flush()
self.process = None
####self.outputFile.close()
os.chdir(oldir)
self.gamessJig.outputfile = self.job_outputfile
return retValue
