def apply(self):
"""
This method is called when the user clicks on the OK button of the conversion dialog. It performs the
conversion from the loaded NetCDF file to the selected ASCII file.
"""
convertASCIIToNetCDF(self.inputFile, self.outputFile)
LogMessage('info', 'Conversion successful', ['gui'])
import os
import sys
sys.path.insert(0, '/home/cs/pellegrini/nMOLDYN/development')
from nMOLDYN.Core.Logger import LogMessage
from nMOLDYN.Core.IO import convertASCIIToNetCDF
pMoldyn='/home/cs/pellegrini/nMOLDYN/nMOLDYN2.2.5/nMoldyn/bin/pMoldyn'
if len(sys.argv) > 1:
selectedTests = [int(v) for v in sys.argv[1:]]
else:
selectedTests = range(1,11)
a = 'AVACF'
for i in selectedTests:
LogMessage('info', "Run test %d" % i, ['console'])
os.system(pMoldyn + ' --avacf --input=%s%s_Reference.inp' % (a,i))
os.system('mv test.plot %s%s_Reference.plot' % (a,i))
convertASCIIToNetCDF('%s%s_Reference.plot' % (a,i), '%s%s_Reference.nc' % (a,i))
from nMOLDYN.Core.Logger import LogMessage
from nMOLDYN.Core.IO import convertASCIIToNetCDF
pMoldyn = '/home/cs/pellegrini/nMOLDYN/nMOLDYN2.2.5/nMoldyn/bin/pMoldyn'
if len(sys.argv) > 1:
selectedTests = [int(v) for v in sys.argv[1:]]
else:
selectedTests = range(1, 15)
a = 'ARA'
for i in selectedTests:
LogMessage('info', "Run test %d" % i, ['console'])
if i <= 7:
os.system(pMoldyn + ' --ar-vel --input=%s%s_Reference.inp' % (a, i))
else:
os.system(pMoldyn + ' --ar-xyz --input=%s%s_Reference.inp' % (a, i))
os.system('mv testDOS.plot DOS%s_Reference.plot' % i)
os.system('mv testMSD.plot MSD%s_Reference.plot' % i)
os.system('mv testVACF.plot VACF%s_Reference.plot' % i)
os.system('mv testPARAMETERS.plot PARAMETERS%s_Reference.plot' % i)
os.system('mv testMEMORY.plot MEMORY%s_Reference.plot' % i)
convertASCIIToNetCDF('DOS%s_Reference.plot' % i, 'DOS%s_Reference.nc' % i)
convertASCIIToNetCDF('MSD%s_Reference.plot' % i, 'MSD%s_Reference.nc' % i)
convertASCIIToNetCDF('VACF%s_Reference.plot' % i,
'VACF%s_Reference.nc' % i)
convertASCIIToNetCDF('MEMORY%s_Reference.plot' % i,
'MEMORY%s_Reference.nc' % i)
import os
import sys
sys.path.insert(0, '/home/cs/pellegrini/nMOLDYN/development')
from nMOLDYN.Core.Logger import LogMessage
from nMOLDYN.Core.IO import convertASCIIToNetCDF
pMoldyn = '/home/cs/pellegrini/nMOLDYN/nMOLDYN2.2.5/nMoldyn/bin/pMoldyn'
if len(sys.argv) > 1:
selectedTests = [int(v) for v in sys.argv[1:]]
else:
selectedTests = range(1, 13)
for i in selectedTests:
LogMessage('info', "Run test %d" % i, ['console'])
os.system(pMoldyn + ' --eisf --input=EISF%s_Reference.inp' % i)
os.system('mv test.plot EISF%s_Reference.plot' % i)
convertASCIIToNetCDF('EISF%s_Reference.plot' % i,
'EISF%s_Reference.nc' % i)
import os
import sys
sys.path.insert(0, '/home/cs/pellegrini/nMOLDYN/development')
from nMOLDYN.Core.Logger import LogMessage
from nMOLDYN.Core.IO import convertASCIIToNetCDF
pMoldyn = '/home/cs/pellegrini/nMOLDYN/nMOLDYN2.2.5/nMoldyn/bin/pMoldyn'
if len(sys.argv) > 1:
selectedTests = [int(v) for v in sys.argv[1:]]
else:
selectedTests = range(1, 15)
for i in selectedTests:
LogMessage('info', "Run test %d" % i, ['console'])
if i <= 7:
os.system(pMoldyn + ' --dos-vel --input=CDOS%s_Reference.inp' % i)
else:
os.system(pMoldyn + ' --dos-xyz --input=CDOS%s_Reference.inp' % i)
os.system('mv test.plot CDOS%s_Reference.plot' % i)
convertASCIIToNetCDF('DOS%s_Reference.plot' % i, 'CDOS%s_Reference.nc' % i)
import os
import sys
sys.path.insert(0, '/home/cs/pellegrini/nMOLDYN/development')
from nMOLDYN.Core.Logger import LogMessage
from nMOLDYN.Core.IO import convertASCIIToNetCDF
pMoldyn = '/home/cs/pellegrini/nMOLDYN/nMOLDYN2.2.5/nMoldyn/bin/pMoldyn'
if len(sys.argv) > 1:
selectedTests = [int(v) for v in sys.argv[1:]]
else:
selectedTests = range(1, 15)
for i in selectedTests:
LogMessage('info', "Run test %d" % i, ['console'])
os.system(pMoldyn + ' --msd --input=MSD%s_Reference.inp' % i)
os.system('mv test.plot MSD%s_Reference.plot' % i)
convertASCIIToNetCDF('MSD%s_Reference.plot' % i, 'MSD%s_Reference.nc' % i)