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/ . / Trajectory / formats / Amber / Amber.py / Trajectory
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Methods
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SetupFrame
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SetupFrame ( self )
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Exceptions
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IOError, "Trajectory/Restart header line is greater than 80 characters -- invalid!!"
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ReadFrame
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ReadFrame ( self, frame )
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Exceptions
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'RestartError', 'Restart frame # can only be 0'
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__getitem__
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__getitem__ ( self, i )
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Exceptions
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'FrameError', 'Tried to read an invalid frame (%d of %d)' %( i, self.length )
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__getslice__
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__getslice__ (
self,
i,
j,
)
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Exceptions
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'FrameError', 'Tried to read an invalid frame (%d of %d)' %( j, self.length )
'FrameError', 'Tried to read an invalid frame (%d of %d)' %( i, self.length )
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DetermineLength
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DetermineLength ( self )
this rather naive function determines the length of the trajectory
by looking at the file size, (subtract off length of the header)
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frameptr
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frameptr ( self, frame )
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__repr__
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__repr__ ( self )
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__init__
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__init__ (
self,
prmtop=None,
trajectory=None,
startFrame=None,
endFrame=None,
box=None,
crlf=None,
vel=0,
)
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Exceptions
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IOError, 'Trajectory %s not found' % self.trajectoryFilename
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WriteFrame
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WriteFrame (
self,
natom,
frame,
fd,
atype='traj',
writebox=None,
)
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