Commit 9e2f9716 authored by Lauri Himanen's avatar Lauri Himanen
Browse files

Did some renamings according to the changes in baseclasse.py, fixed one invalid unit test.

parent 36ae8605
...@@ -479,7 +479,7 @@ class TestEnergyForce(unittest.TestCase): ...@@ -479,7 +479,7 @@ class TestEnergyForce(unittest.TestCase):
def test_program_basis_set_type(self): def test_program_basis_set_type(self):
result = self.results["program_basis_set_type"] result = self.results["program_basis_set_type"]
self.assertEqual(result, "gaussian") self.assertEqual(result, "gaussians")
#=============================================================================== #===============================================================================
......
...@@ -6,13 +6,13 @@ import re ...@@ -6,13 +6,13 @@ import re
import logging import logging
import pickle import pickle
import numpy as np import numpy as np
from nomadcore.baseclasses import BasicParser from nomadcore.baseclasses import AbstractBaseParser
from cp2kparser.generic.inputparsing import metainfo_data_prefix, metainfo_section_prefix from cp2kparser.generic.inputparsing import metainfo_data_prefix, metainfo_section_prefix
logger = logging.getLogger("nomad") logger = logging.getLogger("nomad")
#=============================================================================== #===============================================================================
class CP2KInputParser(BasicParser): class CP2KInputParser(AbstractBaseParser):
"""Used to parse out a CP2K input file. """Used to parse out a CP2K input file.
CP2K offers a complete structure for the input in an XML file, which can be CP2K offers a complete structure for the input in an XML file, which can be
......
import logging import logging
import numpy as np import numpy as np
from nomadcore.baseclasses import BasicParser from nomadcore.baseclasses import AbstractBaseParser
logger = logging.getLogger("nomad") logger = logging.getLogger("nomad")
#=============================================================================== #===============================================================================
class CP2KSinglePointForceParser(BasicParser): class CP2KSinglePointForceParser(AbstractBaseParser):
"""Used to parse out a force file printed out by a CP2K single point """Used to parse out a force file printed out by a CP2K single point
calculation. It is not exactly an ZYX file, so here we define separate calculation. It is not exactly an ZYX file, so here we define separate
parser. parser.
......
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