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distance.h

00001 /* Copyright 2004
00002 Stanford University
00003 
00004 This file is part of the DSR PDB Library.
00005 
00006 The DSR PDB Library is free software; you can redistribute it and/or modify
00007 it under the terms of the GNU Lesser General Public License as published by
00008 the Free Software Foundation; either version 2.1 of the License, or (at your
00009 option) any later version.
00010 
00011 The DSR PDB Library is distributed in the hope that it will be useful, but
00012 WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY
00013 or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU Lesser General Public
00014 License for more details.
00015 
00016 You should have received a copy of the GNU Lesser General Public License
00017 along with the DSR PDB Library; see the file COPYING.LIB.  If not, write to
00018 the Free Software Foundation, Inc., 59 Temple Place - Suite 330, Boston,
00019 MA 02111-1307, USA. */
00020 
00021 
00022 #ifndef DSRPDB_RMS_H
00023 #define DSRPDB_RMS_H
00024 
00025 #include <dsrpdb/config.h>
00026 #include <dsrpdb/Protein.h>
00027 #include <dsrpdb/geometry.h>
00028 #include <dsrpdb/Matrix.h>
00029 #include <cmath>
00030 #include <vector>
00031 
00032 namespace dsrpdb {
00034 
00041   double no_align_cRMS(const Protein &a, const Protein &b);
00042 
00043 
00045 
00050   double no_align_ca_cRMS(const Protein &a, const Protein &b);
00051 
00052 
00054 
00057   double cRMS(const Protein &a, const Protein &b);
00058 
00059 
00061 
00064   double ca_cRMS(const Protein &a, const Protein &b);
00065 
00066 
00068 
00073   double dRMS(const Protein &a, const Protein &b);
00074 
00075 
00077 
00082   double ca_dRMS(const Protein &a, const Protein &b);
00083 
00084 
00086 
00089   Matrix distance_matrix(const Protein &a);
00090 
00091 
00093   Matrix ca_distance_matrix(const Protein &a);
00094 
00095 
00097   Matrix distance_matrix(const Model &a);
00098 
00099 
00101   Matrix ca_distance_matrix(const Model &a);
00102 
00103 };
00104 
00105 #endif