smiles-drawer-fork-continue

This is a forked repo from Smiles Drawer version 1.2.0.

How to build

run gulp build under the root directory.

Features Added

Adjust highlighted atom index for explicit hydrogen (0.0.4)

• Substructure search results from other cheminformatic toolkit might not take into account the explicit hydrogens. Therefore the highlight atom index should be adjusted
• add function adjust_atom_index_for_explicit_H

Highlight the atoms (0.0.3)

• call from code smilesDrawer.draw(tree, "example-canvas", "light", false, [1, 2, 3], {0: "N", 1: "NW"})
• define in canvas <canvas id="example-canvas-3" width="500" height="500" data-vertex-highlights='{"1": "rgba(255, 0, 0, 0.5)"}'></canvas>

Change the positions of Numbering relative to vertices (0.0.2)

• call from code smilesDrawer.draw(tree, "example-canvas", "light", false, [1, 2, 3], {0: "N", 1: "NW"})
• define in canvas <canvas id="example-canvas-3" width="500" height="500" data-smiles="Cc1cocc2CC=Cc12", data-numbering="[1,2,3,4,5,6,7,8,9,10]", data-numbering-directions='{"0": "N", "1": "NW", "2": "W", "3": "SW", "4": "S", "5": "SE", "6": "E", "7": "NE", "8": "S"}'></canvas>

Draw with Numbering (0.0.1)

• call from code smilesDrawer.draw(tree, "example-canvas", "light", false, [1, 2, 3])
• define in canvas <canvas id="example-canvas-2" width="500" height="500" data-smiles="CC=OC", data-numbering="[3,4,5]"></canvas>