def test_ComplexEvolving(self):
"""Dock.ComplexEvolving test"""
import time
from Biskit.Dock import ComplexEvolving
c = t.load(t.testRoot() + '/com/ref.complex')
self.ce = ComplexEvolving(c.rec_model,
c.lig(),
c,
info={'comment': 'test'})
time.sleep(2)
lig = self.ce.lig().transform(MU.randomRotation(), [0, 0, 0])
self.ce2 = ComplexEvolving(self.ce.rec_model,
lig,
self.ce,
info={'comment': 'test2'})
if self.local:
print '\nGenerations: '
for x in self.ce2:
print x['date']
print 'Comments: ', self.ce2.valuesOf('comment')
self.assertEqual(self.ce2.valuesOf('comment'), [None, 'test', 'test2'])
def test_ComplexEvolving(self):
"""Dock.ComplexEvolving test"""
import time
from Biskit.Dock import ComplexEvolving
c = t.load( t.testRoot() + '/com/ref.complex' )
self.ce= ComplexEvolving( c.rec_model, c.lig(), c,
info={'comment':'test'} )
time.sleep( 2 )
lig = self.ce.lig().transform( MU.randomRotation(), [0,0,0] )
self.ce2 = ComplexEvolving( self.ce.rec_model, lig, self.ce,
info={'comment':'test2'})
if self.local:
print '\nGenerations: '
for x in self.ce2:
print x['date']
print 'Comments: ', self.ce2.valuesOf('comment')
self.assertEqual( self.ce2.valuesOf('comment'),
[None, 'test', 'test2'])
def __random_matrix( self ):
"""
Random rotation matrix.
@return: 4 x 4 array of float, random rotation and translation matrix
@rtype: array
"""
r = ma.randomRotation()
## r = N.array([[1,0,0],[0,1,0],[0,0,1]],'f')
t = self.__random_translation()
## create 3 x 4 matrix: 0:3, 0:3 contains rot; 3,0:3 contains trans
result = N.concatenate( (r, N.transpose( [ t.tolist() ] )), 1)
## make it square
result = N.concatenate( (result, N.array([[0,0,0,1]], N.Float32)), 0 )
return result
def __random_matrix(self):
"""
Random rotation matrix.
@return: 4 x 4 array of float, random rotation and translation matrix
@rtype: array
"""
r = ma.randomRotation()
## r = N.array([[1,0,0],[0,1,0],[0,0,1]],'f')
t = self.__random_translation()
## create 3 x 4 matrix: 0:3, 0:3 contains rot; 3,0:3 contains trans
result = N.concatenate((r, N.transpose([t.tolist()])), 1)
## make it square
result = N.concatenate((result, N.array([[0, 0, 0, 1]], N.Float32)), 0)
return result
for x in self.ce2:
print x['date']
print 'Comments: ', self.ce2.valuesOf('comment')
self.assertEqual(self.ce2.valuesOf('comment'), [None, 'test', 'test2'])
if __name__ == '__main__':
import time
from Biskit.Dock import ComplexEvolving
c = t.load(t.testRoot() + '/com/ref.complex')
ce = ComplexEvolving(c.rec_model, c.lig(), c, info={'comment': 'test'})
time.sleep(2)
lig = ce.lig().transform(MU.randomRotation(), [0, 0, 0])
ce2 = ComplexEvolving(ce.rec_model, lig, ce, info={'comment': 'test2'})
print '\nGenerations: '
for x in ce2:
print x['date']
print 'Comments: ', ce2.valuesOf('comment')
#BT.localTest()
self.assertEqual( self.ce2.valuesOf('comment'),
[None, 'test', 'test2'])
if __name__ == '__main__':
import time
from Biskit.Dock import ComplexEvolving
c = t.load( t.testRoot() + '/com/ref.complex' )
ce= ComplexEvolving( c.rec_model, c.lig(), c,
info={'comment':'test'} )
time.sleep( 2 )
lig = ce.lig().transform( MU.randomRotation(), [0,0,0] )
ce2 = ComplexEvolving( ce.rec_model, lig, ce,
info={'comment':'test2'})
print '\nGenerations: '
for x in ce2:
print x['date']
print 'Comments: ', ce2.valuesOf('comment')
#BT.localTest()