complete use of Jmol atom color scheme

The color scheme in the script now covers all 109 elements Jmol assigned a color (H up and inclucing Mt).
M-R-Schaefer · Apr 25, 2023 · ab1c504 · ab1c504
1 parent d629216
commit ab1c504
Showing 1 changed file with 49 additions and 0 deletions.
diff --git a/xyz2povray.py b/xyz2povray.py
@@ -73,6 +73,55 @@ class Atom:
        'Ce': {'mass': 140, 'rad': 0.25, 'rgb': [1.00, 1.00, 0.78]},
        'Pr': {'mass': 141, 'rad': 0.25, 'rgb': [0.85, 1.00, 0.78]},
        'Nd': {'mass': 144, 'rad': 0.25, 'rgb': [0.78, 1.00, 0.78]},
+       'Pm': {'mass': 145, 'rad': 0.25, 'rgb': [0.64, 1.00, 0.78]},
+       'Sm': {'mass': 150, 'rad': 0.25, 'rgb': [0.56, 1.00, 0.78]},
+       'Eu': {'mass': 152, 'rad': 0.25, 'rgb': [0.38, 1.00, 0.78]},
+       'Gd': {'mass': 157, 'rad': 0.25, 'rgb': [0.27, 1.00, 0.78]},
+       'Tb': {'mass': 159, 'rad': 0.25, 'rgb': [0.19, 1.00, 0.78]},
+       'Dy': {'mass': 163, 'rad': 0.25, 'rgb': [0.12, 1.00, 0.78]},
+       'Ho': {'mass': 165, 'rad': 0.25, 'rgb': [0.00, 1.00, 0.61]},
+       'Er': {'mass': 167, 'rad': 0.25, 'rgb': [0.00, 0.90, 0.46]},
+       'Tm': {'mass': 169, 'rad': 0.25, 'rgb': [0.00, 0.83, 0.32]},
+       'Yb': {'mass': 173, 'rad': 0.25, 'rgb': [0.00, 0.75, 0.22]},
+       'Lu': {'mass': 175, 'rad': 0.25, 'rgb': [0.00, 0.67, 0.14]},
+       'Hf': {'mass': 179, 'rad': 0.25, 'rgb': [0.30, 0.76, 1.00]},
+       'Ta': {'mass': 181, 'rad': 0.25, 'rgb': [0.30, 0.65, 1.00]},
+        'W': {'mass': 184, 'rad': 0.25, 'rgb': [0.13, 0.58, 0.84]},
+       'Re': {'mass': 186, 'rad': 0.25, 'rgb': [0.15, 0.49, 0.67]},
+       'Os': {'mass': 190, 'rad': 0.25, 'rgb': [0.15, 0.40, 0.59]},
+       'Ir': {'mass': 192, 'rad': 0.25, 'rgb': [0.09, 0.33, 0.53]},
+       'Pt': {'mass': 195, 'rad': 0.25, 'rgb': [0.82, 0.82, 0.88]},
+       'Au': {'mass': 197, 'rad': 0.25, 'rgb': [1.00, 0.82, 0.14]},
+       'Hg': {'mass': 201, 'rad': 0.25, 'rgb': [0.72, 0.72, 0.82]},
+       'Tl': {'mass': 204, 'rad': 0.25, 'rgb': [0.65, 0.33, 0.30]},
+       'Pb': {'mass': 207, 'rad': 0.25, 'rgb': [0.34, 0.35, 0.38]},
+       'Bi': {'mass': 209, 'rad': 0.25, 'rgb': [0.62, 0.31, 0.71]},
+       'Po': {'mass': 209, 'rad': 0.25, 'rgb': [0.67, 0.36, 0.00]},
+       'At': {'mass': 210, 'rad': 0.25, 'rgb': [0.46, 0.31, 0.27]},
+       'Rn': {'mass': 222, 'rad': 0.25, 'rgb': [0.26, 0.51, 0.59]},
+       'Fr': {'mass': 223, 'rad': 0.25, 'rgb': [0.26, 0.00, 0.40]},
+       'Ra': {'mass': 226, 'rad': 0.25, 'rgb': [0.00, 0.49, 0.00]},
+       'Ac': {'mass': 227, 'rad': 0.25, 'rgb': [0.44, 0.67, 1.00]},
+       'Th': {'mass': 232, 'rad': 0.25, 'rgb': [0.00, 0.73, 1.00]},
+       'Pa': {'mass': 231, 'rad': 0.25, 'rgb': [0.00, 0.63, 1.00]},
+        'U': {'mass': 238, 'rad': 0.25, 'rgb': [0.00, 0.56, 1.00]},
+       'Np': {'mass': 237, 'rad': 0.25, 'rgb': [0.00, 0.50, 1.00]},
+       'Pu': {'mass': 244, 'rad': 0.25, 'rgb': [0.00, 0.42, 1.00]},
+       'Am': {'mass': 243, 'rad': 0.25, 'rgb': [0.33, 0.36, 0.95]},
+       'Cm': {'mass': 247, 'rad': 0.25, 'rgb': [0.47, 0.36, 0.89]},
+       'Bk': {'mass': 247, 'rad': 0.25, 'rgb': [0.54, 0.31, 0.89]},
+       'Cf': {'mass': 251, 'rad': 0.25, 'rgb': [0.63, 0.21, 0.83]},
+       'Es': {'mass': 252, 'rad': 0.25, 'rgb': [0.70, 0.12, 0.83]},
+       'Fm': {'mass': 257, 'rad': 0.25, 'rgb': [0.70, 0.12, 0.73]},
+       'Md': {'mass': 258, 'rad': 0.25, 'rgb': [0.70, 0.05, 0.65]},
+       'No': {'mass': 259, 'rad': 0.25, 'rgb': [0.74, 0.05, 0.53]},
+       'Lr': {'mass': 260, 'rad': 0.25, 'rgb': [0.78, 0.00, 0.40]},
+       'Rf': {'mass': 261, 'rad': 0.25, 'rgb': [0.80, 0.00, 0.35]},
+       'Db': {'mass': 262, 'rad': 0.25, 'rgb': [0.82, 0.00, 0.31]},
+       'Sg': {'mass': 269, 'rad': 0.25, 'rgb': [0.85, 0.00, 0.27]},
+       'Bh': {'mass': 270, 'rad': 0.25, 'rgb': [0.88, 0.00, 0.22]},
+       'Hs': {'mass': 269, 'rad': 0.25, 'rgb': [0.90, 0.00, 0.18]},
+       'Mt': {'mass': 278, 'rad': 0.25, 'rgb': [0.92, 0.00, 0.15]},
     }
 
     def __init__(self, species, tag, position=[0, 0, 0]):