def _test_anneal(self):
'Test the anneal'
cingDirTmpTest = os.path.join(cingDirTmp, getCallerName())
mkdirs(cingDirTmpTest)
self.failIf(os.chdir(cingDirTmpTest),
msg="Failed to change to test directory for files: " +
cingDirTmpTest)
inputArchiveDir = os.path.join(cingDirTestsData, "xplor")
for _i, entryId in enumerate(AllChecks.entryList):
nTmessage('Doing entry %s' % entryId)
cingDirTmpTestEntry = entryId
mkdirs(cingDirTmpTestEntry)
self.failIf(
os.chdir(cingDirTmpTestEntry),
msg="Failed to change to test entry directory for files: " +
cingDirTmpTestEntry)
do_cmd("rm -f *_extended_*.pdb* >& /dev/null")
inputDir = os.path.join(inputArchiveDir, entryId)
self.failIf(not os.path.exists(inputDir),
"Missing input dir " + inputDir)
nTmessage('Trying to copy input files')
copydir(os.path.join(inputDir, '*'), '.')
xplorExecutable = '/Users/jd/workspace/xplor-nih-2.27/bin/xplor'
xplorScript = '$CINGROOT/python/xplorcing/anneal.py'
cmd = 'env -i PATH=$PATH HOME=$HOME USER=$USER %s -py %s %s >& anneal.log' % (
xplorExecutable,
xplorScript,
entryId,
# os.getcwd(), # inputDir
# os.getcwd(), # outputDir
)
if do_cmd(cmd):
nTerror("Failed anneal")
else:
nTmessage("Succeeded anneal")
def _test_anneal(self):
'Test the anneal'
cingDirTmpTest = os.path.join( cingDirTmp, getCallerName() )
mkdirs( cingDirTmpTest )
self.failIf(os.chdir(cingDirTmpTest), msg =
"Failed to change to test directory for files: " + cingDirTmpTest)
inputArchiveDir = os.path.join(cingDirTestsData, "xplor")
for _i,entryId in enumerate(AllChecks.entryList):
nTmessage('Doing entry %s' % entryId)
cingDirTmpTestEntry = entryId
mkdirs( cingDirTmpTestEntry )
self.failIf(os.chdir(cingDirTmpTestEntry), msg =
"Failed to change to test entry directory for files: " + cingDirTmpTestEntry)
do_cmd( "rm -f *_extended_*.pdb* >& /dev/null" )
inputDir = os.path.join(inputArchiveDir, entryId )
self.failIf( not os.path.exists(inputDir), "Missing input dir " + inputDir)
nTmessage('Trying to copy input files' )
copydir( os.path.join(inputDir, '*'), '.')
xplorExecutable = '/Users/jd/workspace/xplor-nih-2.27/bin/xplor'
xplorScript = '$CINGROOT/python/xplorcing/anneal.py'
cmd = 'env -i PATH=$PATH HOME=$HOME USER=$USER %s -py %s %s >& anneal.log' % (
xplorExecutable, xplorScript,
entryId,
# os.getcwd(), # inputDir
# os.getcwd(), # outputDir
)
if do_cmd( cmd ):
nTerror("Failed anneal")
else:
nTmessage("Succeeded anneal")
def copyFiles2Project(projects):
"""Copy the file in the projects directory to each individual project
"""
for p in projects:
source = projects.path('*')
destination = p.validationPath('Cing', 'CASD-NMR')
#print '>>', source, destination
copydir(source, destination)
def copyFiles2Project(projects):
"""Copy the file in the projects directory to each individual project
"""
for p in projects:
source = projects.path("*")
destination = p.validationPath("Cing", "CASD-NMR")
# print '>>', source, destination
copydir(source, destination)