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