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NBO: check for monomer library.
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dcliebschner committed May 23, 2019
1 parent 679086e commit 8c96ab6
Showing 1 changed file with 7 additions and 1 deletion.
8 changes: 7 additions & 1 deletion cctbx/geometry_restraints/tst_process_nonbonded_proxies.py
Original file line number Diff line number Diff line change
Expand Up @@ -7,6 +7,7 @@

import mmtbx.model
import iotbx.pdb
import libtbx.load_env
from libtbx import easy_run
from libtbx.utils import null_out
from libtbx.test_utils import approx_equal
Expand All @@ -17,6 +18,11 @@
import cctbx.geometry_restraints.process_nonbonded_proxies as pnp


chem_data = libtbx.env.find_in_repositories(
relative_path="chem_data/geostd",
test=os.path.isdir)


def obtain_model(raw_records, stop_for_unknowns = True):
'''
Helper function to obtain model class from raw records
Expand Down Expand Up @@ -728,7 +734,7 @@ def test_1_5_overlaps():
"""

if (__name__ == "__main__"):
if not os.getenv("MMTBX_CCP4_MONOMER_LIB") and not os.getenv("CLIBD_MONCLIBD"):
if not os.getenv("MMTBX_CCP4_MONOMER_LIB") and not os.getenv("CLIBD_MONCLIBD") and chem_data is None:
print("Test skipped, need monomer library")
sys.exit()
t0 = time.time()
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