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distance_rmsd_test.hh
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1//------------------------------------------------------------------------------
2// This file is part of the OpenStructure project <www.openstructure.org>
3//
4// Copyright (C) 2008-2020 by the OpenStructure authors
5//
6// This library is free software; you can redistribute it and/or modify it under
7// the terms of the GNU Lesser General Public License as published by the Free
8// Software Foundation; either version 3.0 of the License, or (at your option)
9// any later version.
10// This library is distributed in the hope that it will be useful, but WITHOUT
11// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
12// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more
13// details.
14//
15// You should have received a copy of the GNU Lesser General Public License
16// along with this library; if not, write to the Free Software Foundation, Inc.,
17// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
18//------------------------------------------------------------------------------
19#ifndef OST_MOL_ALG_DISTANCE_RMSD_TEST_HH
20#define OST_MOL_ALG_DISTANCE_RMSD_TEST_HH
21
25
26namespace ost { namespace mol { namespace alg {
27
56std::pair<Real,long int> DLLEXPORT_OST_MOL_ALG
58 const GlobalRDMap& glob_dist_list,
59 Real cap_distance, int sequence_separation = 0,
60 const String& local_drmsdt_property_string="");
61
62
72 const GlobalRDMap& global_dist_list,
73 Real cap_distance, int sequence_separation=0);
74
75}}}
76
77#endif
78
79
definition of EntityView
float Real
Definition base.hh:44
std::string String
Definition base.hh:54
#define DLLEXPORT_OST_MOL_ALG
std::map< ost::mol::ResNum, ResidueRDMap > GlobalRDMap
Global distance list.
Real DLLEXPORT_OST_MOL_ALG DRMSD(const EntityView &v, const GlobalRDMap &global_dist_list, Real cap_distance, int sequence_separation=0)
Computes the Distance RMSD Test given a list of distances to check and a model.
std::pair< Real, long int > DLLEXPORT_OST_MOL_ALG DistanceRMSDTest(const EntityView &mdl, const GlobalRDMap &glob_dist_list, Real cap_distance, int sequence_separation=0, const String &local_drmsdt_property_string="")
Calculates the Distance RMSD in a model, given a list of distances with their refence length.
Definition base.dox:1