From 09d13888b0bda3fa2033f0bf9b8a7ae2302e3cd3 Mon Sep 17 00:00:00 2001 From: Pol Febrer Date: Wed, 14 Feb 2024 10:53:05 +0100 Subject: [PATCH] Added jmol colors --- src/sisl/viz/data_sources/atom_data.py | 118 +++++++++++++++++++++++-- 1 file changed, 110 insertions(+), 8 deletions(-) diff --git a/src/sisl/viz/data_sources/atom_data.py b/src/sisl/viz/data_sources/atom_data.py index fed693b033..3636ed60f9 100644 --- a/src/sisl/viz/data_sources/atom_data.py +++ b/src/sisl/viz/data_sources/atom_data.py @@ -66,15 +66,117 @@ def AtomNOrbitals(geometry, atoms=None): class AtomDefaultColors(AtomData): + # Taken from Jmol (https://jmol.sourceforge.net/jscolors/) _atoms_colors = { - "H": "#cccccc", - "O": "red", - "Cl": "green", - "N": "blue", - "C": "grey", - "S": "yellow", - "P": "orange", - "Au": "gold", + "H": "#FFFFFF", + "He": "#D9FFFF", + "Li": "#CC80FF", + "Be": "#C2FF00", + "B": "#FFB5B5", + "C": "#909090", + "N": "#3050F8", + "O": "#FF0D0D", + "F": "#90E050", + "Ne": "#B3E3F5", + "Na": "#AB5CF2", + "Mg": "#8AFF00", + "Al": "#BFA6A6", + "Si": "#F0C8A0", + "P": "#FF8000", + "S": "#FFFF30", + "Cl": "#1FF01F", + "Ar": "#80D1E3", + "K": "#8F40D4", + "Ca": "#3DFF00", + "Sc": "#E6E6E6", + "Ti": "#BFC2C7", + "V": "#A6A6AB", + "Cr": "#8A99C7", + "Mn": "#9C7AC7", + "Fe": "#E06633", + "Co": "#F090A0", + "Ni": "#50D050", + "Cu": "#C88033", + "Zn": "#7D80B0", + "Ga": "#C28F8F", + "Ge": "#668F8F", + "As": "#BD80E3", + "Se": "#FFA100", + "Br": "#A62929", + "Kr": "#5CB8D1", + "Rb": "#702EB0", + "Sr": "#00FF00", + "Y": "#94FFFF", + "Zr": "#94E0E0", + "Nb": "#73C2C9", + "Mo": "#54B5B5", + "Tc": "#3B9E9E", + "Ru": "#248F8F", + "Rh": "#0A7D8C", + "Pd": "#006985", + "Ag": "#C0C0C0", + "Cd": "#FFD98F", + "In": "#A67573", + "Sn": "#668080", + "Sb": "#9E63B5", + "Te": "#D47A00", + "I": "#940094", + "Xe": "#429EB0", + "Cs": "#57178F", + "Ba": "#00C900", + "La": "#70D4FF", + "Ce": "#FFFFC7", + "Pr": "#D9FFC7", + "Nd": "#C7FFC7", + "Pm": "#A3FFC7", + "Sm": "#8FFFC7", + "Eu": "#61FFC7", + "Gd": "#45FFC7", + "Tb": "#30FFC7", + "Dy": "#1FFFC7", + "Ho": "#00FF9C", + "Er": "#00E675", + "Tm": "#00D452", + "Yb": "#00BF38", + "Lu": "#00AB24", + "Hf": "#4DC2FF", + "Ta": "#4DA6FF", + "W": "#2194D6", + "Re": "#267DAB", + "Os": "#266696", + "Ir": "#175487", + "Pt": "#D0D0E0", + "Au": "#FFD123", + "Hg": "#B8B8D0", + "Tl": "#A6544D", + "Pb": "#575961", + "Bi": "#9E4FB5", + "Po": "#AB5C00", + "At": "#754F45", + "Rn": "#428296", + "Fr": "#420066", + "Ra": "#007D00", + "Ac": "#70ABFA", + "Th": "#00BAFF", + "Pa": "#00A1FF", + "U": "#008FFF", + "Np": "#0080FF", + "Pu": "#006BFF", + "Am": "#545CF2", + "Cm": "#785CE3", + "Bk": "#8A4FE3", + "Cf": "#A136D4", + "Es": "#B31FD4", + "Fm": "#B31FBA", + "Md": "#B30DA6", + "No": "#BD0D87", + "Lr": "#C70066", + "Rf": "#CC0059", + "Db": "#D1004F", + "Sg": "#D90045", + "Bh": "#E00038", + "Hs": "#E6002E", + "Mt": "#EB0026", "else": "pink", }