src/mmdb_bondmngr.h
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00001 // $Id: mmdb_bondmngr.h $ 00002 // ================================================================= 00003 // 00004 // CCP4 Coordinate Library: support of coordinate-related 00005 // functionality in protein crystallography applications. 00006 // 00007 // Copyright (C) Eugene Krissinel 2000-2013. 00008 // 00009 // This library is free software: you can redistribute it and/or 00010 // modify it under the terms of the GNU Lesser General Public 00011 // License version 3, modified in accordance with the provisions 00012 // of the license to address the requirements of UK law. 00013 // 00014 // You should have received a copy of the modified GNU Lesser 00015 // General Public License along with this library. If not, copies 00016 // may be downloaded from http://www.ccp4.ac.uk/ccp4license.php 00017 // 00018 // This program is distributed in the hope that it will be useful, 00019 // but WITHOUT ANY WARRANTY; without even the implied warranty of 00020 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 00021 // GNU Lesser General Public License for more details. 00022 // 00023 // ================================================================= 00024 // 00025 // 15.09.13 <-- Date of Last Modification. 00026 // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 00027 // ----------------------------------------------------------------- 00028 // 00029 // **** Module : mmdb_bondmngr <interface> 00030 // ~~~~~~~~~ 00031 // Project : MacroMolecular Data Base (MMDB) 00032 // ~~~~~~~~~ 00033 // **** Classes : mmdb::BondManager ( MMDB bonds maker ) 00034 // ~~~~~~~~~ 00035 // 00036 // (C) E. Krissinel 2000-2013 00037 // 00038 // ================================================================= 00039 // 00040 00041 #ifndef __MMDB_BondMngr__ 00042 #define __MMDB_BondMngr__ 00043 00044 #include "mmdb_selmngr.h" 00045 00046 namespace mmdb { 00047 00048 // ======================= BondManager ======================= 00049 00050 DefineClass(BondManager); 00051 DefineStreamFunctions(BondManager); 00052 00053 class BondManager : public SelManager { 00054 00055 public : 00056 00057 BondManager (); 00058 BondManager ( io::RPStream Object ); 00059 ~BondManager(); 00060 00061 void MakeBonds ( bool calc_only ); 00062 void RemoveBonds(); 00063 00064 protected : 00065 void write ( io::RFile f ); 00066 void read ( io::RFile f ); 00067 00068 }; 00069 00070 } // namespace mmdb 00071 00072 #endif 00073
