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modifications to common test
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alongd committed Jun 26, 2018
1 parent 891a6a1 commit bb8e1eb
Showing 1 changed file with 10 additions and 7 deletions.
17 changes: 10 additions & 7 deletions rmgpy/cantherm/commonTest.py
Original file line number Diff line number Diff line change
Expand Up @@ -34,13 +34,16 @@
import unittest
import numpy
import os

import rmgpy
from rmgpy.cantherm import CanTherm, input
from input import jobList
from rmgpy.cantherm.input import jobList
import rmgpy.constants as constants
from rmgpy.cantherm.statmech import InputError

################################################################################


class CommonTest(unittest.TestCase):
"""
Contains unit tests of the Cantherm common functions.
Expand All @@ -56,7 +59,7 @@ def test_check_conformer_energy(self):
self.assertAlmostEqual(Vdiff / 2.7805169838282797, 1, 5)


class testCanthermJob(unittest.TestCase):
class TestCanthermJob(unittest.TestCase):
"""
Contains unit tests of the Cantherm module and its interactions with other RMG modules.
"""
Expand Down Expand Up @@ -87,7 +90,7 @@ def setUp(self):
self.method = pdepjob.method
self.rmgmode = pdepjob.rmgmode

# test Cantherm's interactions with the network module
# test Cantherm's interactions with the network module
def testNisom(self):
"""
Test the number of isomers identified.
Expand Down Expand Up @@ -118,7 +121,7 @@ def testPathReactions(self):
"""
self.assertEqual(str(self.PathReaction2), 'CH2OH <=> methoxy', msg=None)

# test Cantherm's interactions with the pdep module
# test Cantherm's interactions with the pdep module
def testTemperaturesUnits(self):
"""
Test the Temperature Units.
Expand Down Expand Up @@ -185,7 +188,7 @@ def testRmgmode(self):
"""
self.assertEqual(self.rmgmode, False, msg=None)

# Test cantherms interactions with the kinetics module
# Test cantherms interactions with the kinetics module
def testCalculateTSTRateCoefficient(self):
"""
Test the calculation of the high-pressure limit rate coef for one of the kinetics jobs at Tmin and Tmax.
Expand All @@ -200,7 +203,7 @@ def testTunneling(self):
self.assertEqual(self.kineticsjob.reaction.transitionState.tunneling, None, msg=None)


class testCanthermInput(unittest.TestCase):
class TestCanthermInput(unittest.TestCase):
"""
Contains unit tests for loading and processing Cantherm input files.
"""
Expand Down Expand Up @@ -267,7 +270,7 @@ def testTransitionStateStatmech(self):
job.applyBondEnergyCorrections = self.useBondCorrections
job.load()

class testStatmech(unittest.TestCase):
class TestStatmech(unittest.TestCase):
"""
Contains unit tests of statmech.py
"""
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