コード例 #1
0
 def test_all(self):
     parsers.parser_for_contact_map()
     parsers.parser_for_frag_overview()
     parsers.parser_for_BW_overview()
     parsers.parser_for_densities()
     parsers.parser_for_CGN_overview()
     parsers.parser_for_rn()
     parsers.parser_for_interface()
     parsers.parser_for_dih()
     parsers.parser_for_sites()
     parsers.parser_for_compare_neighborhoods()
     parsers.parser_for_examples()
     parsers.parser_for_residues()
コード例 #2
0
#!/usr/bin/env python3

##############################################################################
#    This file is part of mdciao.
#    
#    Copyright 2020 Charité Universitätsmedizin Berlin and the Authors
#
#    Authors: Guillermo Pérez-Hernandez
#    Contributors:
#
#    mdciao is free software: you can redistribute it and/or modify
#    it under the terms of the GNU Lesser General Public License as published by
#    the Free Software Foundation, either version 3 of the License, or
#    (at your option) any later version.
#
#    mdciao is distributed in the hope that it will be useful,
#    but WITHOUT ANY WARRANTY; without even the implied warranty of
#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
#    GNU Lesser General Public License for more details.
#
#    You should have received a copy of the GNU Lesser General Public License
#    along with mdciao.  If not, see <https://www.gnu.org/licenses/>.
##############################################################################

from mdciao.parsers import parser_for_BW_overview
from mdciao.cli.cli import _fragment_overview
parser = parser_for_BW_overview()
a  = parser.parse_args()
_fragment_overview(a,"BW")
コード例 #3
0
 def test_BW_url(self):
     a = parser_for_BW_overview()
     a = a.parse_args(["adrb2_human"])
     a.__setattr__("topology",test_filenames.pdb_3SN6)
     cli._fragment_overview(a, "BW")
コード例 #4
0
 def test_no_top(self):
     a = parser_for_BW_overview()
     a = a.parse_args([test_filenames.adrb2_human_xlsx])
     a.__setattr__("labels","3.50")
     cli._fragment_overview(a, "BW")
コード例 #5
0
 def test_BW_paths_and_verbose(self):
     a = parser_for_BW_overview()
     a = a.parse_args([test_filenames.adrb2_human_xlsx])
     a.__setattr__("print_conlab",True)
     a.__setattr__("topology",test_filenames.top_pdb)
     cli._fragment_overview(a, "BW")