ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

we cannot test the Pizza.py dump class without the MOLECULE package

Browse Source
This commit is contained in:
Axel Kohlmeyer
2022-10-05 20:14:56 -04:00
parent 0a8dfb73da
commit ec1c6eba11
1 changed files with 11 additions and 1 deletions
Download Patch File Download Diff File Expand all files Collapse all files

12
unittest/python/python-pizza.py
View File

@ -11,12 +11,21 @@ sys.path.insert(1,PIZZA_DIR)
# dump class uses NumPy, so only load and test dump if NumPy is available # dump class uses NumPy, so only load and test dump if NumPy is available
has_numpy = False has_numpy = False
has_molecule = False
machine = None
if 'LAMMPS_MACHINE_NAME' in os.environ:
machine=os.environ['LAMMPS_MACHINE_NAME']
tmplmp = lammps(name=machine, cmdargs=['-nocite', '-log', 'none', '-echo', 'screen'])
has_molecule = tmplmp.has_package('MOLECULE')
tmplmp.close()
try: try:
import numpy import numpy
has_numpy = True has_numpy = True
import dump import dump
except: except:
pass pass
do_dump_test = has_numpy and has_molecule
import log import log
@ -116,11 +125,12 @@ class PythonDump(unittest.TestCase):
if 'LAMMPS_MACHINE_NAME' in os.environ: if 'LAMMPS_MACHINE_NAME' in os.environ:
machine=os.environ['LAMMPS_MACHINE_NAME'] machine=os.environ['LAMMPS_MACHINE_NAME']
self.lmp = lammps(name=machine, cmdargs=['-nocite', '-log', 'none', '-echo', 'screen']) self.lmp = lammps(name=machine, cmdargs=['-nocite', '-log', 'none', '-echo', 'screen'])
self.do_dump_test = self.lmp.has_package('MOLECULE') and has_numpy
def tearDown(self): def tearDown(self):
del self.lmp del self.lmp
@unittest.skipIf(not has_numpy,"Missing the NumPy python module") @unittest.skipIf(not do_dump_test,"Missing the NumPy python module or MOLECULE package")
def testDumpCustom(self): def testDumpCustom(self):
dumpfile = os.path.join(os.path.abspath('.'), 'dump.custom') dumpfile = os.path.join(os.path.abspath('.'), 'dump.custom')
self.lmp.command('shell cd ' + os.environ['TEST_INPUT_DIR']) self.lmp.command('shell cd ' + os.environ['TEST_INPUT_DIR'])