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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) 2008-2011 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.
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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 
22 #include <ost/mol/entity_view.hh>
25 
26 namespace ost { namespace mol { namespace alg {
27 
56 std::pair<Real,long int> DLLEXPORT_OST_MOL_ALG
57 DistanceRMSDTest(const EntityView& mdl,
58  const GlobalRDMap& glob_dist_list,
59  Real cap_distance, int sequence_separation = 0,
60  const String& local_drmsdt_property_string="");
61 
62 
71 Real DLLEXPORT_OST_MOL_ALG DRMSD(const EntityView& v,
72  const GlobalRDMap& global_dist_list,
73  Real cap_distance, int sequence_separation=0);
74 
75 }}}
76 
77 #endif
78 
79 
#define DLLEXPORT_OST_MOL_ALG
std::string String
Definition: base.hh:54
float Real
Definition: base.hh:44
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::map< ost::mol::ResNum, ResidueRDMap > GlobalRDMap
Global distance list.
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...