Hi,
apologies for question C++ newbie. I've defined a derivative class from
OBGlobalDataBase in data.cpp, implemented the ParseLine function for my
class. Somehow I expected the constructor of OBGlobalDataBase would get
called when I instantiated and object of the new class, and that would
read the file, but this doesn't seem to happen. Why not? Should I call
the parent constructor explicitly?
class OBAPI OBAtomicHeatOfFormationTable : public OBGlobalDataBase
{
std::vector<OBAtomHOF> _atomhof;
public:
OBAtomicHeatOfFormationTable(void);
~OBAtomicHeatOfFormationTable();
//! \return the number of elements in the Atomic Heat Of
Formation table
size_t GetSize() { return _atomhof.size(); }
void ParseLine(const char*);
//! \return 1 if the contribution to the Heat of Formation for
this atom
//! is known at temperature T, or 0 otherwise. If 1 the value
//! including all corrections is returned.
int GetHeatOfFormation(const char *elem,char *method,char *desc,
double Temp,int multiplicity,double
*dhof);
};
--
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
sp...@xray.bmc.uu.se http://folding.bmc.uu.se
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