Source code for useful_rdkit_utils.jupyter_utils

from rdkit.Chem import rdDepictor


[docs] def rd_setup_jupyter() -> None: """Set up rendering the way I want it :return: None """ from rdkit.Chem.Draw import IPythonConsole IPythonConsole.ipython_useSVG = True IPythonConsole.molSize = 300, 300 rdDepictor.SetPreferCoordGen(True)
[docs] def rd_enable_svg() -> None: """Enable SVG rendering in Jupyter notebooks :return: None """ from rdkit.Chem.Draw import IPythonConsole IPythonConsole.ipython_useSVG = True
[docs] def rd_enable_png() -> None: """Enable PNG rendering in Jupyter notebooks :return: None """ from rdkit.Chem.Draw import IPythonConsole IPythonConsole.ipython_useSVG = False
[docs] def rd_set_image_size(x: int, y: int) -> None: """Set image size for structure rendering :param x: X dimension :param y: Y dimension :return: None """ from rdkit.Chem.Draw import IPythonConsole IPythonConsole.molSize = x, y
[docs] def rd_make_structures_pretty() -> None: """Enable CoordGen rendering :return: None """ rdDepictor.SetPreferCoordGen(True)
[docs] def rd_show_cip_stereo(state: bool) -> None: """Show CIP stereochemistry in RDKit :param state: True or False :return: None """ from rdkit.Chem.Draw import IPythonConsole IPythonConsole.drawOptions.addStereoAnnotation = state
[docs] def rd_show_atom_indices(state: bool) -> None: """Show atom indices in RDKit :param state: True or False :return: None """ from rdkit.Chem.Draw import IPythonConsole IPythonConsole.drawOptions.addAtomIndices = state