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default.py
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121 lines (121 loc) · 2.17 KB
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from function import read_elementsini,read_csv,rgba2hex
# Animation
step=3
start=1
pyfile="animation.py"
pklfile="property.pkl"
# Bonds
bond_color = (0.5, 0.5, 0.5 ,1.0)
radius = 0.08
bicolor=False
# Viewer
width = 600
height = 600
# Atoms
scale = 0.4
space_filling_scale = 1.0
color = {element:rgba2hex(rgba) for element,rgba in read_elementsini("./default.ini").items()}
vesta_color = {element:rgba2hex(rgba) for element,rgba in read_elementsini("./vesta.ini").items()}
jmol_color = {symb:rgba2hex(color) for symb,color in read_csv("./jmol.csv").items()}
sizes={
'Ac': 2.03,
'Ag': 1.44,
'Al': 1.43,
'Am': 1.73,
'Ar': 1.92,
'As': 1.21,
'At': 0.62,
'Au': 1.44,
'B': 0.81,
'Ba': 2.24,
'Be': 1.12,
'Bi': 1.82,
'Br': 1.14,
'C': 0.77,
'Ca': 1.97,
'Cd': 1.52,
'Ce': 1.82,
'Cl': 0.99,
'Co': 1.25,
'Cr': 1.29,
'Cs': 2.72,
'Cu': 1.28,
'D': 0.46,
'Dy': 1.77,
'Er': 1.75,
'Eu': 2.06,
'F': 0.72,
'Fe': 1.26,
'Fr': 1.0,
'Ga': 1.53,
'Gd': 1.79,
'Ge': 1.22,
'H': 0.46,
'He': 1.22,
'Hf': 1.59,
'Hg': 1.55,
'Ho': 1.76,
'I': 1.33,
'In': 1.67,
'Ir': 1.36,
'K': 2.35,
'Kr': 1.98,
'La': 1.88,
'Li': 1.57,
'Lu': 1.72,
'Mg': 1.6,
'Mn': 1.37,
'Mo': 1.4,
'N': 0.74,
'Na': 1.91,
'Nb': 1.47,
'Nd': 1.82,
'Ne': 1.6,
'Ni': 1.25,
'Np': 1.56,
'O': 0.74,
'Os': 1.35,
'P': 1.1,
'Pa': 1.63,
'Pb': 1.75,
'Pd': 1.37,
'Pm': 1.81,
'Po': 1.77,
'Pr': 1.82,
'Pt': 1.39,
'Pu': 1.64,
'Ra': 2.35,
'Rb': 2.5,
'Re': 1.37,
'Rh': 1.34,
'Rn': 0.8,
'Ru': 1.34,
'S': 1.04,
'Sb': 1.41,
'Sc': 1.64,
'Se': 1.04,
'Si': 1.18,
'Sm': 1.81,
'Sn': 1.58,
'Sr': 2.15,
'Ta': 1.47,
'Tb': 1.77,
'Tc': 1.35,
'Te': 1.37,
'Th': 1.8,
'Ti': 1.47,
'Tl': 1.71,
'Tm': 1.0,
'U': 1.56,
'V': 1.35,
'W': 1.41,
'XX': 0.8,
'Xe': 2.18,
'Y': 1.82,
'Yb': 1.94,
'Zn': 1.37,
'Zr': 1.6,
}
# Render
subdivision_surface = {"apply":False,"level":3,"render_levels":3}
cartoon = {"apply":False,"IOR":0.85,"color":(0,0,0,1)}