I'm trying to use the MolDraw2D class in C++ to generate all the graphics primitives for a molecule, which I then pass into my own graphics engine to make an image. I'm doing this by making a new class that is a subclass of MolDraw2D, similar to MolDraw2DSVG, and overriding the drawXXX methods.
But I find that when I call drawMolecule on a molecule that already has 2D coordinates, the lines that get drawn have all been rescaled and translated. I need to turn off this, I need for the coordinates used to make the lines match the existing conformer. I know this is somehow related to the width and height used in the MolDraw2D constructor, and I see that there are options fixedBondLength, fixedScale, as well as a setScale method. But I'm not clear on what values to set in these to set the rescaling to 1 and translation to 0. Thanks Jason Biggs
_______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss