Package schrodinger :: Package application :: Package desmond :: Package packages :: Package msys :: Package molfile :: Module _molfile :: Class Reader

[frames] | no frames]

Class Reader

 object --+    
          |    
??.instance --+
              |
             Reader

Structure or trajectory open for reading

Instance Methods

[hide private]

__init__(...)
Raises an exception This class cannot be instantiated from Python

__reduce__(...)
helper for pickle

at_time_ge(...)
at_time_ge( (Reader)arg1, (float)time) -> Frame

at_time_gt(...)
at_time_gt( (Reader)arg1, (float)time) -> Frame

at_time_le(...)
at_time_le( (Reader)arg1, (float)time) -> Frame

at_time_lt(...)
at_time_lt( (Reader)arg1, (float)time) -> Frame

at_time_near(...)
at_time_near( (Reader)arg1, (float)time) -> Frame

frame(...)
frame( (Reader)arg1, (int)arg2) -> Frame

frames(self)

grid(reader, n)

grid_data(...)
grid_data( (Reader)arg1, (int)arg2, (object)arg3) -> None

grid_meta(...)
grid_meta( (Reader)arg1, (int)arg2) -> object

next(...)
next( (Reader)arg1) -> Frame :...

reopen(...)
reopen( (Reader)arg1) -> Reader :...

skip(...)
skip( (Reader)arg1) -> None :...

Inherited from unreachable.instance: __new__

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Properties

[hide private]

atoms
list of Atoms

bondorders
list of bond orders

has_velocities
reads velocities

natoms
number of atoms

nframes
number of frames

ngrids
number of grids

times
all times for frames in trajectory

topology
bond adjacency graph

Inherited from object: __class__

Method Details

[hide private]

init(...)
(Constructor)

Raises an exception This class cannot be instantiated from Python

Overrides: object.__init__

reduce(...)

helper for pickle

Overrides: object.__reduce__: (inherited documentation)

next(...)


next( (Reader)arg1) -> Frame :
    Return the next frame

reopen(...)


reopen( (Reader)arg1) -> Reader :
    reopen file for reading

skip(...)


skip( (Reader)arg1) -> None :
    Skip the next frame

Property Details

[hide private]

atoms

list of Atoms

Get Method:: unreachable(...)

bondorders

list of bond orders

Get Method:: unreachable(...)

has_velocities

reads velocities

Get Method:: unreachable(...)

natoms

number of atoms

Get Method:: unreachable(...)

nframes

number of frames

Get Method:: unreachable(...)

ngrids

number of grids

Get Method:: unreachable(...)

times

all times for frames in trajectory

Get Method:: unreachable(...)

topology

bond adjacency graph

Get Method:: unreachable(...)

Class Reader

__init__(...) (Constructor)

__reduce__(...)

next(...)

reopen(...)

skip(...)

atoms

bondorders

has_velocities

natoms

nframes

ngrids

times

topology

init(...)
(Constructor)

reduce(...)