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tsoc
openmm
Commits
d1cf2346
Commit
d1cf2346
authored
Apr 19, 2014
by
Jason Swails
Browse files
Update examples in the docstrings.
parent
418987b4
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wrappers/python/simtk/openmm/app/charmmcrdfiles.py
wrappers/python/simtk/openmm/app/charmmcrdfiles.py
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wrappers/python/simtk/openmm/app/charmmcrdfiles.py
View file @
d1cf2346
...
@@ -55,7 +55,7 @@ class CharmmCrdFile(object):
...
@@ -55,7 +55,7 @@ class CharmmCrdFile(object):
Example:
Example:
>>> chm = CharmmCrdFile('testfiles/1tnm.crd')
>>> chm = CharmmCrdFile('testfiles/1tnm.crd')
>>> print '%d atoms; %d coords' % (chm.natom, len(chm.positions))
>>> print '%d atoms; %d coords' % (chm.natom, len(chm.positions))
1414 atoms;
4242
coords
1414 atoms;
1414
coords
"""
"""
def
__init__
(
self
,
fname
):
def
__init__
(
self
,
fname
):
...
@@ -139,7 +139,7 @@ class CharmmRstFile(object):
...
@@ -139,7 +139,7 @@ class CharmmRstFile(object):
>>> natom, nc, nco = chm.natom, len(chm.positions), len(chm.positionsold)
>>> natom, nc, nco = chm.natom, len(chm.positions), len(chm.positionsold)
>>> nv = len(chm.velocities)
>>> nv = len(chm.velocities)
>>> print '%d atoms; %d crds; %d old crds; %d vels' % (natom, nc, nco, nv)
>>> print '%d atoms; %d crds; %d old crds; %d vels' % (natom, nc, nco, nv)
256 atoms;
768
crds;
768
old crds;
768
vels
256 atoms;
256
crds;
256
old crds;
256
vels
"""
"""
def
__init__
(
self
,
fname
):
def
__init__
(
self
,
fname
):
...
...
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