Skip to content
Snippets Groups Projects
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
No related branches found
No related tags found
No related merge requests found
......@@ -479,7 +479,7 @@ class TestEnergyForce(unittest.TestCase):
def test_program_basis_set_type(self):
result = self.results["program_basis_set_type"]
self.assertEqual(result, "gaussian")
self.assertEqual(result, "gaussians")
#===============================================================================
......
......@@ -6,13 +6,13 @@ import re
import logging
import pickle
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
logger = logging.getLogger("nomad")
#===============================================================================
class CP2KInputParser(BasicParser):
class CP2KInputParser(AbstractBaseParser):
"""Used to parse out a CP2K input file.
CP2K offers a complete structure for the input in an XML file, which can be
......
import logging
import numpy as np
from nomadcore.baseclasses import BasicParser
from nomadcore.baseclasses import AbstractBaseParser
logger = logging.getLogger("nomad")
#===============================================================================
class CP2KSinglePointForceParser(BasicParser):
class CP2KSinglePointForceParser(AbstractBaseParser):
"""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
parser.
......
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment