コード例 #1
0
ファイル: transport.py プロジェクト: wking/RMG-Py
 def loadEntry(self,
               index,
               label,
               group,
               transportGroup,
               reference=None,
               referenceType='',
               shortDesc='',
               longDesc='',
               history=None
               ):
     if group[0:3].upper() == 'OR{' or group[0:4].upper() == 'AND{' or group[0:7].upper() == 'NOT OR{' or group[0:8].upper() == 'NOT AND{':
         item = makeLogicNode(group)
     else:
         item = Group().fromAdjacencyList(group)
     self.entries[label] = Entry(
         index = index,
         label = label,
         item = item,
         data = transportGroup,
         reference = reference,
         referenceType = referenceType,
         shortDesc = shortDesc,
         longDesc = longDesc.strip(),
         history = history or [],
     )
コード例 #2
0
 def loadEntry(
     self,
     index,
     label,
     group,
     statmech,
     reference=None,
     referenceType='',
     shortDesc='',
     longDesc='',
 ):
     if (group[0:3].upper() == 'OR{' or group[0:4].upper() == 'AND{'
             or group[0:7].upper() == 'NOT OR{'
             or group[0:8].upper() == 'NOT AND{'):
         item = makeLogicNode(group)
     else:
         item = Group().fromAdjacencyList(group)
     self.entries[label] = Entry(
         index=index,
         label=label,
         item=item,
         data=statmech,
         reference=reference,
         referenceType=referenceType,
         shortDesc=shortDesc,
         longDesc=longDesc.strip(),
     )
コード例 #3
0
ファイル: solvation.py プロジェクト: comocheng/RMG-Py
 def loadEntry(self, index, label, group, solute, reference=None, referenceType="", shortDesc="", longDesc=""):
     if (
         group[0:3].upper() == "OR{"
         or group[0:4].upper() == "AND{"
         or group[0:7].upper() == "NOT OR{"
         or group[0:8].upper() == "NOT AND{"
     ):
         item = makeLogicNode(group)
     else:
         item = Group().fromAdjacencyList(group)
     self.entries[label] = Entry(
         index=index,
         label=label,
         item=item,
         data=solute,
         reference=reference,
         referenceType=referenceType,
         shortDesc=shortDesc,
         longDesc=longDesc.strip(),
     )