def createJavaKineticsLibrary(self):
"""
Generates java reaction library files from your chemkin file.
"""
from rmgpy.chemkin import loadChemkinFile, saveJavaKineticsLibrary
chemkinPath = self.path + '/chemkin/chem.inp'
dictionaryPath = self.path + 'RMG_Dictionary.txt'
speciesList, reactionList = loadChemkinFile(chemkinPath, dictionaryPath)
saveJavaKineticsLibrary(self.path, speciesList, reactionList)
return
def createJavaKineticsLibrary(self):
"""
Generates java reaction library files from your chemkin file.
"""
from rmgpy.chemkin import loadChemkinFile, saveJavaKineticsLibrary
chemkinPath = os.path.join(self.path, 'chemkin','chem.inp')
dictionaryPath = os.path.join(self.path, 'RMG_Dictionary.txt' )
speciesList, reactionList = loadChemkinFile(chemkinPath, dictionaryPath)
saveJavaKineticsLibrary(self.path, speciesList, reactionList)
return
def createJavaKineticsLibrary(self):
"""
Generates java reaction library files from your chemkin file.
"""
import subprocess
from rmgpy.chemkin import loadChemkinFile, saveJavaKineticsLibrary
chemkinPath = self.path + '/chemkin/chem.inp'
dictionaryPath = self.path + 'RMG_Dictionary.txt'
speciesList, reactionList = loadChemkinFile(chemkinPath, dictionaryPath)
saveJavaKineticsLibrary(self.path, speciesList, reactionList)
commands = ['mv', 'RMG_Dictionary.txt', 'species.txt']
subprocess.check_output(commands, cwd=self.path)
return