src/mmdb_uddata.h
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00001 // $Id: mmdb_uddata.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 // 12.09.13 <-- Date of Last Modification. 00026 // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 00027 // ----------------------------------------------------------------- 00028 // 00029 // **** Module : MMDBF_UDData <interface> 00030 // ~~~~~~~~~ 00031 // **** Project : MacroMolecular Data Base (MMDB) 00032 // ~~~~~~~~~ 00033 // 00034 // **** Classes : mmdb::UDData ( user-defined data ) 00035 // ~~~~~~~~~ 00036 // 00037 // (C) E. Krissinel 2000-2013 00038 // 00039 // ================================================================= 00040 // 00041 00042 #ifndef __MMDB_UDData__ 00043 #define __MMDB_UDData__ 00044 00045 #include "mmdb_mask.h" 00046 00047 namespace mmdb { 00048 00049 // ======================= UDRegister ========================= 00050 00051 enum UDR_TYPE { 00052 UDR_ATOM = 0, 00053 UDR_RESIDUE = 1, 00054 UDR_CHAIN = 2, 00055 UDR_MODEL = 3, 00056 UDR_HIERARCHY = 4 00057 }; 00058 00059 enum UDD_FLAG { 00060 UDRF_ATOM = 0x01000000, 00061 UDRF_RESIDUE = 0x02000000, 00062 UDRF_CHAIN = 0x04000000, 00063 UDRF_MODEL = 0x08000000, 00064 UDRF_HIERARCHY = 0x10000000, 00065 UDRF_MASK = 0x00FFFFFF 00066 }; 00067 00068 DefineClass(UDRegister); 00069 DefineStreamFunctions(UDRegister); 00070 00071 class UDRegister : public io::Stream { 00072 00073 public : 00074 00075 UDRegister (); 00076 UDRegister ( io::RPStream Object ); 00077 ~UDRegister(); 00078 00079 int RegisterUDInteger ( UDR_TYPE udr_type, cpstr UDDataID ); 00080 int RegisterUDReal ( UDR_TYPE udr_type, cpstr UDDataID ); 00081 int RegisterUDString ( UDR_TYPE udr_type, cpstr UDDataID ); 00082 int GetUDDHandle ( UDR_TYPE udr_type, cpstr UDDataID ); 00083 00084 void write ( io::RFile f ); 00085 void read ( io::RFile f ); 00086 00087 protected : 00088 int nIUDR[5],nRUDR[5],nSUDR[5]; 00089 psvector IUDRegister[5]; 00090 psvector RUDRegister[5]; 00091 psvector SUDRegister[5]; 00092 00093 void InitUDRegister (); 00094 void FreeUDRegister (); 00095 int RegisterUDData ( psvector & UDRegister, 00096 int & nUDR, 00097 cpstr UDDataID ); 00098 00099 }; 00100 00101 00102 // ========================== UDData =========================== 00103 00104 enum UDDATA_RC { 00105 UDDATA_Ok = 0, 00106 UDDATA_WrongHandle = -1, 00107 UDDATA_WrongUDRType = -2, 00108 UDDATA_NoData = -3 00109 }; 00110 00111 DefineClass(UDData); 00112 DefineStreamFunctions(UDData); 00113 00114 class UDData : public Mask { 00115 00116 friend class SelManager; 00117 00118 public : 00119 00120 UDData (); 00121 UDData ( io::RPStream Object ); 00122 ~UDData(); 00123 00124 protected : 00125 ivector IUData; 00126 rvector RUData; 00127 psvector SUData; 00128 00129 void InitUDData (); 00130 void FreeUDDMemory(); 00131 int getNofIUData (); 00132 int getNofRUData (); 00133 int getNofSUData (); 00134 void setNofSUData ( int newN ); 00135 00136 int putUDData ( int UDDhandle, int iudd ); 00137 int putUDData ( int UDDhandle, realtype rudd ); 00138 int putUDData ( int UDDhandle, cpstr sudd ); 00139 00140 int getUDData ( int UDDhandle, int & iudd ); 00141 int getUDData ( int UDDhandle, realtype & rudd ); 00142 int getUDData ( int UDDhandle, pstr sudd, int maxLen ); 00143 pstr getUDData ( int UDDhandle, int * retcode=NULL ); 00144 int getUDData ( int UDDhandle, pstr & sudd ); 00145 00146 void write ( io::RFile f ); 00147 void read ( io::RFile f ); 00148 00149 }; 00150 00151 } // namespace mmdb 00152 00153 #endif 00154
