00001
00002 #include <string.h>
00003 #include <stdlib.h>
00004 #include <iostream.h>
00005 #include <ctype.h>
00006 #include <time.h>
00007 #include <vector>
00008 #include <map>
00009 #include <algorithm>
00010 #include "mmdb_manager.h"
00011 #include "mmdb_tables.h"
00012 #include "mmdb_graph.h"
00013 #include "com.h"
00014 #include "graph.h"
00015 #include "atomWrapper.h"
00016 #include "hydrogenBond.h"
00017 #include "distDB.h"
00018 #include "DBGraph.h"
00019 #include "msd_data.h"
00020
00021
00025 class MSDTitle : public CDBTitle
00026 {
00027 public:
00033 HRESULT LoadDeposition(char* ConnStr, int nDepId);
00039 HRESULT LoadWarehouse(char* ConnStr, int nEntryId);
00040 MSDTitle(){};
00041 ~MSDTitle(){};
00042 };
00043
00044
00045
00046
00047 class MSDCryst : public CDBCryst {
00048 public:
00049
00055 HRESULT LoadDeposition(char* ConnStr, int nDepId);
00061 HRESULT LoadWarehouse(char* ConnStr, int nDepId);
00068 MSDCryst(){};
00069 ~MSDCryst(){};
00070 };
00071
00072 class MSDManager : public CDBManager
00073 { public:
00079 HRESULT LoadDeposition(char* ConnStr, int nDepId );
00085 HRESULT LoadWarehouse(char* ConnStr, int nDepId );
00086
00087 MSDManager(){};
00088 ~MSDManager(){};
00089
00090 };
00091
00093
00094 extern PCCalcGraph buildGraphFromWarehouseComponent(char* ConnStr, int nSccId, bool bEliminateH);
00095
00096