BioInt  1.02.00
BioInt: An integrative biological object-oriented application framework and interpreter
BioPdbCompnd.h
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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
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