BioInt
1.02.00
BioInt: An integrative biological object-oriented application framework and interpreter
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00001 /**************************************************************************** 00002 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 00003 The BioBhasha : The Biologist's Programming Language 00004 Version 1.0 (19th December 2001) 00005 Prasad, B.V.L.S. 00006 Contact: burrashiva@yahoo.com 00007 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 00008 *****************************************************************************/ 00009 #ifndef BIOPDBCOMPND_H 00010 #define BIOPDBCOMPND_H 00011 00012 using namespace std; 00013 00014 #include <string> 00015 #include <vector> 00016 #include <fstream> 00017 #include <iostream> 00018 #include "BioPdbSingleCompnd.h" 00019 00020 //to do: 00021 // the methods should be: 00022 // showCompnd(ostream& ) 00023 // all the other methods are accessed from BioPdbSingleCompnd Object. 00024 00025 class BioPdbCompnd 00026 { 00027 00028 vector <BioPdbSingleCompnd> multipleCompnd_; 00029 // friend bool operator >(const BioPdbCompnd& , const BioPdbCompnd&); 00030 // friend bool operator <(const BioPdbCompnd& , const BioPdbCompnd&); 00031 // friend bool operator ==(const BioPdbCompnd& , const BioPdbCompnd&); 00032 00033 protected: 00034 void setPdbCompnd(vector<string>); 00035 00036 public: 00037 BioPdbCompnd(); 00038 BioPdbCompnd(const string& ti_); 00039 00040 int getNumberOfCompnds(); 00041 BioPdbSingleCompnd getCompnd(int ); 00042 bool findCompnd(string); 00043 00044 /* int getCompndNumberOfMolIds(); 00045 int getCompndMolId(int ); 00046 string getCompndMolecule( int ); 00047 string getCompndFragment(int ); 00048 string getCompndEngineered(int ); 00049 string getCompndEc(int, int ); 00050 string getCompndBiologicalUnit(int ); 00051 string getCompndOtherDetails(int ); 00052 string getCompndMutation(int ); 00053 char getCompndChain(int,int ); 00054 string getCompndSynonym(int);*/ 00055 00056 00057 }; 00058 00059 #endif