Fix getValue call for input file writer

This fixes the website input file writer. There is
still more to add e.g. QM in the input file writer,
however this will prevent it from breaking (hopefully).

Author: pierrelb

rmgpy/rmg/input.py

@@ -417,10 +417,10 @@ def saveInputFile(path, rmg):
     # Reaction systems
     for system in rmg.reactionSystems:
         f.write('simpleReactor(\n')
-        f.write('    temperature = ({0:g},"{1!s}"),\n'.format(system.T.getValueInGivenUnits(),system.T.units))
+        f.write('    temperature = ({0:g},"{1!s}"),\n'.format(system.T.getValue(),system.T.units))
         # Convert the pressure from SI pascal units to bar here
         # Do something more fancy later for converting to user's desired units for both T and P..
-        f.write('    pressure = ({0:g},"{1!s}"),\n'.format(system.P.getValueInGivenUnits(),system.P.units))
+        f.write('    pressure = ({0:g},"{1!s}"),\n'.format(system.P.getValue(),system.P.units))
         f.write('    initialMoleFractions={\n')
         for species, molfrac in system.initialMoleFractions.iteritems():
             f.write('        "{0!s}": {1:g},\n'.format(species.label, molfrac))
@@ -430,7 +430,7 @@ def saveInputFile(path, rmg):
         conversions = ''
         for term in system.termination:
             if isinstance(term, TerminationTime):
-                f.write('    terminationTime = ({0:g},"{1!s}"),\n'.format(term.time.getValueInGivenUnits(),term.time.units))
+                f.write('    terminationTime = ({0:g},"{1!s}"),\n'.format(term.time.getValue(),term.time.units))
 
             else:
                 conversions += '        "{0:s}": {1:g},\n'.format(term.species.label, term.conversion)
@@ -468,17 +468,17 @@ def saveInputFile(path, rmg):
     if rmg.pressureDependence:
         f.write('pressureDependence(\n')
         f.write('    method = "{0!s}",\n'.format(rmg.pressureDependence.method))
-        f.write('    maximumGrainSize = ({0:g},"{1!s}"),\n'.format(rmg.pressureDependence.grainSize.getValueInGivenUnits(),rmg.pressureDependence.grainSize.units))
+        f.write('    maximumGrainSize = ({0:g},"{1!s}"),\n'.format(rmg.pressureDependence.grainSize.getValue(),rmg.pressureDependence.grainSize.units))
         f.write('    minimumNumberOfGrains = {0},\n'.format(rmg.pressureDependence.grainCount))
         f.write('    temperatures = ({0:g},{1:g},"{2!s}",{3:d}),\n'.format(
-            rmg.pressureDependence.Tmin.getValueInGivenUnits(),
-            rmg.pressureDependence.Tmax.getValueInGivenUnits(),
+            rmg.pressureDependence.Tmin.getValue(),
+            rmg.pressureDependence.Tmax.getValue(),
             rmg.pressureDependence.Tmax.units,
             rmg.pressureDependence.Tcount,
         ))
         f.write('    pressures = ({0:g},{1:g},"{2!s}",{3:d}),\n'.format(
-            rmg.pressureDependence.Pmin.getValueInGivenUnits(),
-            rmg.pressureDependence.Pmax.getValueInGivenUnits(),
+            rmg.pressureDependence.Pmin.getValue(),
+            rmg.pressureDependence.Pmax.getValue(),
             rmg.pressureDependence.Pmax.units,
             rmg.pressureDependence.Pcount,
         ))
@@ -489,7 +489,7 @@ def saveInputFile(path, rmg):
     f.write('options(\n')
     f.write('    units = "{0}",\n'.format(rmg.units))
     if rmg.saveRestartPeriod:
-        f.write('    saveRestartPeriod = ({0},"{1}"),\n'.format(rmg.saveRestartPeriod.getValueInGivenUnits(), rmg.saveRestartPeriod.units))
+        f.write('    saveRestartPeriod = ({0},"{1}"),\n'.format(rmg.saveRestartPeriod.getValue(), rmg.saveRestartPeriod.units))
     else:
         f.write('    saveRestartPeriod = None,\n')
     f.write('    drawMolecules = {0},\n'.format(rmg.drawMolecules))