@@ -54,18 +54,28 @@ const mol = {
5454 { " x" : 2.049 , " y" : - 3.0 , " element" : " H" }
5555 ],
5656 " bonds" : [
57- { " atoms" : [3 , 6 ], " bond" : " UNIMPL" },
58- { " atoms" : [11 , 2 ], " bond" : " SINGLE" },
59- { " atoms" : [0 , 12 ], " bond" : " SINGLE" },
60- { " atoms" : [1 , 13 ], " bond" : " SINGLE" },
61- { " atoms" : [4 , 14 ], " bond" : " SINGLE" },
62- { " atoms" : [5 , 15 ], " bond" : " SINGLE" },
63- { " atoms" : [7 , 16 ], " bond" : " SINGLE" },
64- { " atoms" : [8 , 17 ], " bond" : " SINGLE" },
65- { " atoms" : [9 , 18 ], " bond" : " SINGLE" },
66- { " atoms" : [10 , 19 ], " bond" : " SINGLE" },
67- { " atoms" : [0 , 1 , 2 , 3 , 4 , 5 ], " bond" : " AROMATIC" },
68- { " atoms" : [6 , 7 , 8 , 9 , 10 , 11 ], " bond" : " AROMATIC" }
57+ { " atoms" : [[3 , 6 , " UNIMPL" ]] },
58+ { " atoms" : [[11 , 2 , " SINGLE" ]] },
59+ { " atoms" : [[0 , 12 , " SINGLE" ]] },
60+ { " atoms" : [[1 , 13 , " SINGLE" ]] },
61+ { " atoms" : [[4 , 14 , " SINGLE" ]] },
62+ { " atoms" : [[5 , 15 , " SINGLE" ]] },
63+ { " atoms" : [[7 , 16 , " SINGLE" ]] },
64+ { " atoms" : [[8 , 17 , " SINGLE" ]] },
65+ { " atoms" : [[9 , 18 , " SINGLE" ]] },
66+ { " atoms" : [[10 , 19 , " SINGLE" ]] },
67+ { " atoms" : [[0 , 1 , " SINGLE" ],
68+ [1 , 2 , " DOUBLE" ],
69+ [2 , 3 , " SINGLE" ],
70+ [3 , 4 , " DOUBLE" ],
71+ [4 , 5 , " SINGLE" ],
72+ [5 , 0 , " DOUBLE" ]], " key" : " RING" },
73+ { " atoms" : [[6 , 7 , " SINGLE" ],
74+ [7 , 8 , " DOUBLE" ],
75+ [8 , 9 , " SINGLE" ],
76+ [9 , 10 , " DOUBLE" ],
77+ [10 , 11 , " SINGLE" ],
78+ [11 , 6 , " DOUBLE" ]], " key" : " RING" }
6979 ]
7080};
7181
@@ -87,7 +97,12 @@ This is rendered as:
8797* ` translateX: number ` Translate the whole image on the X axis (default: ` 0 ` ).
8898* ` translateY: number ` Translate the whole image on the Y axis (default: ` 0 ` ).
8999* ` scale: number ` Scale the whole image by some fraction (default: ` 1 ` ).
100+ * ` width: number ` The width of the drawing area in pixels (default: ` 100 ` ).
101+ * ` height: number ` The height of the drawing area in pixels (default: ` 100 ` ).
102+ * ` labelTranslateX: number ` Translate each atom label, in the x direction, by this number of pixels (default: ` 0 ` ).
103+ * ` labelTranslateY: number ` Translate each atom label, in the y direction, by this number of pixels (default: ` 0 ` ).
90104* ` atomClicked: (index: number) => void ` A callback function accepting the index of the clicked atom.
105+ * ` atomLabel: (atom: Atom, index: number) => string ` A callback function defining the text to display in the label for the given atom.
91106* ` atomStyle: (element: string, selected: boolean): React.CSSProperties ` A hook specifying CSS styles for the SVG ` <circle> ` .
92107* ` atomLabelStyle: (element: string, selected: boolean): React.CSSProperties ` A hook specifying CSS styles for the SVG ` <text> ` .
93108
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