def exercise():
g = graphics_utils.make_rainbow_gradient(nbins=21)
assert approx_equal(g[0], (0.0, 0.0, 1.0))
assert approx_equal(g[10], (0.0, 1.0, 0.0))
assert approx_equal(g[-1], (1.0, 0.0, 0.0))
sel = flex.bool([True] * 10)
sel[5] = False
r = graphics_utils.color_rainbow(
selection=sel,
color_all=False)
assert approx_equal(r[0], (0.0,0.0,1.0))
assert approx_equal(r[-1], (1.0,0.0,0.0))
assert approx_equal(r[4], (0.0,1.0,0.0))
r2 = graphics_utils.color_rainbow(
selection=sel,
color_all=True)
assert approx_equal(r2[0], (0.0,0.0,1.0))
assert approx_equal(r2[-1], (1.0,0.0,0.0))
assert approx_equal(r2[6], (2/3.,1.0,0.0))
b = flex.double([4.0,5.2,1.7,6.9,9.5,24.3])
c = graphics_utils.color_by_property(
properties=b,
selection=flex.bool(b.size(), True))
assert approx_equal(c[2], (0.0,0.0,1.0))
c2 = graphics_utils.scale_selected_colors(
input_colors=c,
selection=flex.bool(c.size(), True),
scale=0.9)
assert approx_equal(c2[2], (0.0,0.0,0.9))
c3 = graphics_utils.grayscale_by_property(
properties=b,
selection=flex.bool(b.size(), True))
assert approx_equal(c3[2], (0.95,0.95,0.95))
def exercise () :
g = graphics_utils.make_rainbow_gradient(nbins=21)
assert approx_equal(g[0], (0.0, 0.0, 1.0))
assert approx_equal(g[10], (0.0, 1.0, 0.0))
assert approx_equal(g[-1], (1.0, 0.0, 0.0))
sel = flex.bool([True] * 10)
sel[5] = False
r = graphics_utils.color_rainbow(
selection=sel,
color_all=False)
assert approx_equal(r[0], (0.0,0.0,1.0))
assert approx_equal(r[-1], (1.0,0.0,0.0))
assert approx_equal(r[4], (0.0,1.0,0.0))
r2 = graphics_utils.color_rainbow(
selection=sel,
color_all=True)
assert approx_equal(r2[0], (0.0,0.0,1.0))
assert approx_equal(r2[-1], (1.0,0.0,0.0))
assert approx_equal(r2[6], (2/3.,1.0,0.0))
b = flex.double([4.0,5.2,1.7,6.9,9.5,24.3])
c = graphics_utils.color_by_property(
properties=b,
selection=flex.bool(b.size(), True))
assert approx_equal(c[2], (0.0,0.0,1.0))
c2 = graphics_utils.scale_selected_colors(
input_colors=c,
selection=flex.bool(c.size(), True),
scale=0.9)
assert approx_equal(c2[2], (0.0,0.0,0.9))
c3 = graphics_utils.grayscale_by_property(
properties=b,
selection=flex.bool(b.size(), True))
assert approx_equal(c3[2], (0.95,0.95,0.95))
def color_by_chain (self) :
cached = self._color_cache.get("chain")
if cached is not None :
self.atom_colors = cached
else :
from scitbx.array_family import flex
from scitbx import graphics_utils
c = 0
for chain in self.pdb_hierarchy.chains() :
c += 1
rainbow = graphics_utils.make_rainbow_gradient(c)
j = 0
chain_shades = {}
for chain in self.pdb_hierarchy.chains() :
chain_shades[chain.id] = rainbow[j]
atom_colors = flex.vec3_double()
for atom in self.pdb_hierarchy.atoms_with_labels() :
atom_colors.append(chain_shades[atom.chain_id])
self.atom_colors = atom_colors
self._color_cache["chain"] = atom_colors
