Hi,I have an issue with the cartridge - mol_to_svg() changes the input molecule so I want to make MolGetSVG() to work on a copy of the input molecule instead.
In Code/PgSQL/rdkit/adapter.cpp:
extern "C" char *MolGetSVG(CROMol i, unsigned int w, unsigned int h,
const char *legend, const char *params) {
// This is the original code that makes a read-write
// "im" that is passed to the drawing routines where
// it gets changed.
RWMol *im = (RWMol *)i;
// SVG routines need an RWMol since they change the
// molecule as they prepare it for drawing. We don't
// want a plain SQL function (mol_to_svg) to have
// unexpected side effects, so take a copy and render
// (and change) that instead.
RWMol *input_mol = (RWMol *)i;
RWMol input_copy = *input_mol;
RWMol *im = &input_copy;
...
My construction of the "input_copy" object is obviously wrong, 'cause
the database crashes. What is the correct way of copying an RWMol object ?
Cheers -- Jan
smime.p7s
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