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from chemview.gg import *
from chemview.viewer import RepresentationViewer
import numpy as np


    

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from chemlab.io import datafile
from chemlab.core import guess_bonds
system = datafile('../tests/data/pdb1g8p.ent', format='pdb').read('system')
# system.bonds = guess_bonds(system.r_array, system.type_array, threshold=0.01)
system.display(kind='cartoon')


    

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from chemlab.io import datafile
system = datafile('../tests/data/pdb1g8p.ent', format='pdb').read('system')
water = system.sub(residue_name='HOH')

cartoon = GeomProteinCartoon(Aes(types=system.atom_name,
                                 secondary_id=system.secondary_id,
                                 secondary_type=system.secondary_structure))
points = GeomSpheres(Aes(xyz=water.r_array, sizes=0.1, colors=0xffff00))
# lines = GeomLines(Aes(edges=system.bonds))
gg = ggview(Aes(xyz=system.r_array)) + cartoon + points
tv = gg.display()
tv


    

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gg = ggview(Aes(xyz=[[0.0, 0.0, 0.0],
                     [0.0, 0.0, 0.3],
                     [0.0, 0.0, 0.4],
                     [0.0, 0.0, 0.5],
                     [0.0, 0.0, 0.6],
                     [0.0, 0.0, 0.7]], 
                colors=[0.0, 0.1, 0.2, 0.3, 0.5, 0.6],
                visible=np.array([False, True, True, False, True, True])))
gg += GeomPoints() 
gg += ScaleColorsGradient(limits=[0.0, 0.6], palette='viridis')
gg.display()


    

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gg = ggview(Aes(xyz=[[0.0, 0.0, 0.0],
                     [0.0, 0.0, 0.3],
                     [0.0, 0.0, 0.4],
                     [0.0, 0.0, 0.5],
                     [0.0, 0.0, 0.6],
                     [0.0, 0.0, 0.7]], 
                colors=[0.0, 0.1, 0.2, 0.3, 0.5, 0.6],
                sizes=0.1,
                edges=[[0, 1], [1, 2]]))
gg += GeomSpheres() 
gg += GeomCylinders(Aes(sizes=0.05))
gg += ScaleColorsGradient(limits=[0.0, 0.6], palette='viridis')
gg.display()