def testSaveEntry(self): """ tests that save entry can run """ from rmgpy.data.kinetics.common import saveEntry import os from rmgpy.data.base import Entry reactions = self.reactions fname = 'testfile.txt' fid = open('testfile.txt', 'w') wd = os.getcwd() wdir = wd + '/' + fname rxn = reactions[0] entry = Entry(index=1, label=str(rxn), item=rxn, shortDesc='sdes', longDesc='lsdes', data='stuff', rank=0) saveEntry(fid, entry) fid.close() os.remove(wdir)
def saveTransitionStateGroups(self, path, entryName='entry'): """ Save the current database to the file at location `path` on disk. The optional `entryName` parameter specifies the identifier used for each data entry. """ entries = self.groups.getEntriesToSave() # Write the header f = codecs.open(path, 'w', 'utf-8') f.write('#!/usr/bin/env python\n') f.write('# encoding: utf-8\n\n') f.write('name = "{0}"\n'.format(self.groups.name)) f.write('shortDesc = u"{0}"\n'.format(self.groups.shortDesc)) f.write('longDesc = u"""\n') f.write(self.groups.longDesc) f.write('\n"""\n\n') # Save the entries for entry in entries: saveEntry(f, entry) # Write the tree if len(self.groups.top) > 0: f.write('tree(\n') f.write('"""\n') f.write(self.generateOldTree(self.groups.top, 1)) f.write('"""\n') f.write(')\n\n') f.close()
def testSaveEntry(self): """ tests that save entry can run """ reactions=self.reactions fname = 'testfile.txt' fid = open('testfile.txt','w') wd = os.getcwd() wdir = wd+'/'+fname rxn = reactions[0] entry = Entry(index=1,label=str(rxn),item=rxn,shortDesc='sdes',longDesc='lsdes',data='stuff',rank=0) saveEntry(fid,entry) fid.close() os.remove(wdir)
def saveEntry(self, f, entry): """ Write the given `entry` in the database to the file object `f`. """ return saveEntry(f, entry)