Пример #1
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    def test_color(self):
        self.color.method = COLOR_COLOR
        self.assertEqual(self.color.method, COLOR_COLOR)
        self.assertEqual(self.color.get_parameters(), {'color': 1})
        self.assertEqual(_molrep.get_color(self.molid, 0), 'ColorID 1')

        self.color.set_parameters(color=3)
        self.assertEqual(self.color.method, COLOR_COLOR)
        self.assertEqual(self.color.get_parameters(), {'color': 3})
        self.assertEqual(_molrep.get_color(self.molid, 0), 'ColorID 3')
Пример #2
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    def test_volume(self):
        self.color.method = COLOR_VOLUME
        self.assertEqual(self.color.method, COLOR_VOLUME)
        self.assertEqual(self.color.get_parameters(), {'volume_id': 0})
        self.assertEqual(_molrep.get_color(self.molid, 0), 'Volume 0')

        self.color.set_parameters(volume_id=42)
        self.assertEqual(self.color.method, COLOR_VOLUME)
        self.assertEqual(self.color.get_parameters(), {'volume_id': 42})
        self.assertEqual(_molrep.get_color(self.molid, 0), 'Volume 42')
Пример #3
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    def test_volume(self):
        self.color.method = COLOR_VOLUME
        self.assertEqual(self.color.method, COLOR_VOLUME)
        self.assertEqual(self.color.get_parameters(), {'volume_id': 0})
        self.assertEqual(_molrep.get_color(self.molid, 0), 'Volume 0')

        self.color.set_parameters(volume_id=42)
        self.assertEqual(self.color.method, COLOR_VOLUME)
        self.assertEqual(self.color.get_parameters(), {'volume_id': 42})
        self.assertEqual(_molrep.get_color(self.molid, 0), 'Volume 42')
Пример #4
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    def test_color(self):
        self.color.method = COLOR_COLOR
        self.assertEqual(self.color.method, COLOR_COLOR)
        self.assertEqual(self.color.get_parameters(), {'color': 1})
        self.assertEqual(_molrep.get_color(self.molid, 0), 'ColorID 1')

        self.color.set_parameters(color=3)
        self.assertEqual(self.color.method, COLOR_COLOR)
        self.assertEqual(self.color.get_parameters(), {'color': 3})
        self.assertEqual(_molrep.get_color(self.molid, 0), 'ColorID 3')
Пример #5
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    def test_method(self):
        color = Color(self.rep)
        self.assertEqual(color.method, COLOR_NAME)

        color.method = COLOR_TYPE
        self.assertEqual(color.method, COLOR_TYPE)
        self.assertEqual(_molrep.get_color(self.molid, 0), 'Type')
Пример #6
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 def test_pos_z(self):
     self.color.method = COLOR_POS_Z
     self.assertEqual(self.color.method, COLOR_POS_Z)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'PosZ')
Пример #7
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 def test_fragment(self):
     self.color.method = COLOR_FRAGMENT
     self.assertEqual(self.color.method, COLOR_FRAGMENT)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Fragment')
Пример #8
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 def test_pos_z(self):
     self.color.method = COLOR_POS_Z
     self.assertEqual(self.color.method, COLOR_POS_Z)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'PosZ')
Пример #9
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 def test_mass(self):
     self.color.method = COLOR_MASS
     self.assertEqual(self.color.method, COLOR_MASS)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Mass')
Пример #10
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 def test_restype(self):
     self.color.method = COLOR_RESTYPE
     self.assertEqual(self.color.method, COLOR_RESTYPE)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'ResType')
Пример #11
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 def test_conformation(self):
     self.color.method = COLOR_CONFORMATION
     self.assertEqual(self.color.method, COLOR_CONFORMATION)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Conformation')
Пример #12
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 def test_physical_time(self):
     self.color.method = COLOR_PHYSICAL_TIME
     self.assertEqual(self.color.method, COLOR_PHYSICAL_TIME)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'PhysicalTime')
Пример #13
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 def test_velocity(self):
     self.color.method = COLOR_VELOCITY
     self.assertEqual(self.color.method, COLOR_VELOCITY)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Velocity')
Пример #14
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 def test_backbone(self):
     self.color.method = COLOR_BACKBONE
     self.assertEqual(self.color.method, COLOR_BACKBONE)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Backbone')
Пример #15
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 def test_throb(self):
     self.color.method = COLOR_THROB
     self.assertEqual(self.color.method, COLOR_THROB)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Throb')
Пример #16
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 def test_index(self):
     self.color.method = COLOR_INDEX
     self.assertEqual(self.color.method, COLOR_INDEX)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Index')
Пример #17
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 def test_fragment(self):
     self.color.method = COLOR_FRAGMENT
     self.assertEqual(self.color.method, COLOR_FRAGMENT)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Fragment')
Пример #18
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 def test_user_4(self):
     self.color.method = COLOR_USER_4
     self.assertEqual(self.color.method, COLOR_USER_4)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'User4')
Пример #19
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 def test_backbone(self):
     self.color.method = COLOR_BACKBONE
     self.assertEqual(self.color.method, COLOR_BACKBONE)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Backbone')
Пример #20
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 def test_timestep(self):
     self.color.method = COLOR_TIMESTEP
     self.assertEqual(self.color.method, COLOR_TIMESTEP)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Timestep')
Пример #21
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 def test_physical_time(self):
     self.color.method = COLOR_PHYSICAL_TIME
     self.assertEqual(self.color.method, COLOR_PHYSICAL_TIME)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'PhysicalTime')
Пример #22
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 def test_velocity(self):
     self.color.method = COLOR_VELOCITY
     self.assertEqual(self.color.method, COLOR_VELOCITY)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Velocity')
Пример #23
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 def test_element(self):
     self.color.method = COLOR_ELEMENT
     self.assertEqual(self.color.method, COLOR_ELEMENT)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Element')
Пример #24
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 def test_mass(self):
     self.color.method = COLOR_MASS
     self.assertEqual(self.color.method, COLOR_MASS)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Mass')
Пример #25
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 def test_chain(self):
     self.color.method = COLOR_CHAIN
     self.assertEqual(self.color.method, COLOR_CHAIN)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Chain')
Пример #26
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 def test_element(self):
     self.color.method = COLOR_ELEMENT
     self.assertEqual(self.color.method, COLOR_ELEMENT)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Element')
Пример #27
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 def test_structure(self):
     self.color.method = COLOR_STRUCTURE
     self.assertEqual(self.color.method, COLOR_STRUCTURE)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Structure')
Пример #28
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 def test_resname(self):
     self.color.method = COLOR_RESNAME
     self.assertEqual(self.color.method, COLOR_RESNAME)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'ResName')
Пример #29
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 def test_occupancy(self):
     self.color.method = COLOR_OCCUPANCY
     self.assertEqual(self.color.method, COLOR_OCCUPANCY)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Occupancy')
Пример #30
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 def test_restype(self):
     self.color.method = COLOR_RESTYPE
     self.assertEqual(self.color.method, COLOR_RESTYPE)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'ResType')
Пример #31
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 def test_charge(self):
     self.color.method = COLOR_CHARGE
     self.assertEqual(self.color.method, COLOR_CHARGE)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Charge')
Пример #32
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 def test_resid(self):
     self.color.method = COLOR_RESID
     self.assertEqual(self.color.method, COLOR_RESID)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'ResID')
Пример #33
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 def test_user_4(self):
     self.color.method = COLOR_USER_4
     self.assertEqual(self.color.method, COLOR_USER_4)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'User4')
Пример #34
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 def test_chain(self):
     self.color.method = COLOR_CHAIN
     self.assertEqual(self.color.method, COLOR_CHAIN)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Chain')
Пример #35
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 def test_index(self):
     self.color.method = COLOR_INDEX
     self.assertEqual(self.color.method, COLOR_INDEX)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Index')
Пример #36
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 def test_segname(self):
     self.color.method = COLOR_SEGNAME
     self.assertEqual(self.color.method, COLOR_SEGNAME)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'SegName')
Пример #37
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 def test_throb(self):
     self.color.method = COLOR_THROB
     self.assertEqual(self.color.method, COLOR_THROB)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Throb')
Пример #38
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 def test_conformation(self):
     self.color.method = COLOR_CONFORMATION
     self.assertEqual(self.color.method, COLOR_CONFORMATION)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Conformation')
Пример #39
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 def test_timestep(self):
     self.color.method = COLOR_TIMESTEP
     self.assertEqual(self.color.method, COLOR_TIMESTEP)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Timestep')
Пример #40
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 def test_molecule(self):
     self.color.method = COLOR_MOLECULE
     self.assertEqual(self.color.method, COLOR_MOLECULE)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Molecule')
Пример #41
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 def test_beta(self):
     self.color.method = COLOR_BETA
     self.assertEqual(self.color.method, COLOR_BETA)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Beta')
Пример #42
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 def test_structure(self):
     self.color.method = COLOR_STRUCTURE
     self.assertEqual(self.color.method, COLOR_STRUCTURE)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Structure')
Пример #43
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 def test_resname(self):
     self.color.method = COLOR_RESNAME
     self.assertEqual(self.color.method, COLOR_RESNAME)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'ResName')
Пример #44
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 def test_occupancy(self):
     self.color.method = COLOR_OCCUPANCY
     self.assertEqual(self.color.method, COLOR_OCCUPANCY)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Occupancy')
Пример #45
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 def test_resid(self):
     self.color.method = COLOR_RESID
     self.assertEqual(self.color.method, COLOR_RESID)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'ResID')
Пример #46
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 def _get_method(self):
     raw_color = _molrep.get_color(self.representation.molecule.molid,
                                   self.representation.repindex)
     return _parse_raw_color(raw_color)[0]
Пример #47
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 def test_segname(self):
     self.color.method = COLOR_SEGNAME
     self.assertEqual(self.color.method, COLOR_SEGNAME)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'SegName')
Пример #48
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 def test_set_parameters(self):
     color = Color(self.rep)
     color.method = COLOR_COLOR
     color.set_parameters(color=4)
     self.assertEqual(_molrep.get_color(self.molid, 0), 'ColorID 4')
     self.assertEqual(color.get_parameters(), {'color': 4})
Пример #49
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 def test_molecule(self):
     self.color.method = COLOR_MOLECULE
     self.assertEqual(self.color.method, COLOR_MOLECULE)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Molecule')
Пример #50
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 def test_beta(self):
     self.color.method = COLOR_BETA
     self.assertEqual(self.color.method, COLOR_BETA)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Beta')
Пример #51
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 def _get_method(self):
     raw_color = _molrep.get_color(self.representation.molecule.molid, self.representation.repindex)
     return _parse_raw_color(raw_color)[0]
Пример #52
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 def test_charge(self):
     self.color.method = COLOR_CHARGE
     self.assertEqual(self.color.method, COLOR_CHARGE)
     self.assertEqual(self.color.get_parameters(), {})
     self.assertEqual(_molrep.get_color(self.molid, 0), 'Charge')
Пример #53
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 def get_parameters(self):
     """Returns coloring parameters"""
     raw_color = _molrep.get_color(self.representation.molecule.molid,
                                   self.representation.repindex)
     return _parse_raw_color(raw_color)[1]
Пример #54
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 def get_parameters(self):
     """Returns coloring parameters"""
     raw_color = _molrep.get_color(self.representation.molecule.molid, self.representation.repindex)
     return _parse_raw_color(raw_color)[1]