def write(nmrCalcRun, targetDir):
""" Write input files for Program run
Input:
nmrCalcRun: NmrCalc.Run
targetDir: destination directory.
"""
#intIo.writeDataFiles(nmrCalcRun, targetDir)
jsonDict = intIo.makeJsonDict(nmrCalcRun)
# write properties file
propFile = uniIo.joinPath(targetDir, intIo.propFileName)
print 'About to write', propFile
open(propFile, 'w').write(
json.dumps(jsonDict, sort_keys=True, indent=intIo.propIndent))
def write(nmrCalcRun, targetDir):
""" Write input files for Program run
Input:
nmrCalcRun: NmrCalc.Run
targetDir: destination directory.
"""
intIo.writeDataFiles(nmrCalcRun, targetDir)
jsonDict = intIo.makeJsonDict(nmrCalcRun)
# write properties file
propFile = uniIo.joinPath(targetDir, intIo.propFileName)
open(propFile, 'w').write(
json.dumps(jsonDict, sort_keys=True, indent=intIo.propIndent))
# Write program setup file
fileNameObj = nmrCalcRun.findFirstRunParameter(name='fileNameSetup')
if fileNameObj is not None:
filePath = uniIo.joinPath(targetDir, fileNameObj.textValue)
writeSetupFile(filePath, jsonDict)
def write(nmrCalcRun, targetDir):
""" Write input files for Program run
Input:
nmrCalcRun: NmrCalc.Run
targetDir: destination directory.
"""
intIo.writeDataFiles(nmrCalcRun, targetDir)
jsonDict = intIo.makeJsonDict(nmrCalcRun)
# write properties file
propFile = uniIo.joinPath(targetDir, intIo.propFileName)
print 'About to write', propFile
open(propFile, 'w').write(
json.dumps(jsonDict, sort_keys=True, indent=intIo.propIndent))
# Write program setup file
fileNameObj = nmrCalcRun.findFirstRunParameter(name='fileNameSetup')
importJsonName = 'cyana2ccpn.json'
if fileNameObj is not None:
# write init.cya
initFile = uniIo.joinPath(targetDir, initFileName)
rmsdrange = jsonDict['RunParameter'].pop('rmsdrange')
seqFile = jsonDict['RunParameter'].pop('fileNameSequence')
text = """# Cyana init file - Generated by CcpNmr Integrator
rmsdrange:=%s
cyanalib
read seq %s
""" % (rmsdrange, seqFile)
open(initFile, 'w').write(text)
# write main command file
filePath = uniIo.joinPath(targetDir, fileNameObj.textValue)
importFilePath = uniIo.joinPath(targetDir, importJsonName)
writeSetupFile(filePath, jsonDict)
writeImportJson(importFilePath, jsonDict)