"Fossies" - the Fresh Open Source Software Archive  

Source code changes of the file "modules/pymol/fitting.py" between
pymol-open-source-2.2.0.tar.gz and pymol-open-source-2.3.0.tar.gz

About: PyMOL is a Python-enhanced molecular graphics tool. It excels at 3D visualization of proteins, small molecules, density, surfaces, and trajectories. It also includes molecular editing, ray tracing, and movies. Open Source version.

fitting.py  (pymol-open-source-2.2.0)	:	fitting.py  (pymol-open-source-2.3.0)
skipping to change at line 17		skipping to change at line 17
#G* Please see the accompanying LICENSE file for further information.		#G* Please see the accompanying LICENSE file for further information.
#H* -------------------------------------------------------------------		#H* -------------------------------------------------------------------
#I* Additional authors of this source file include:		#I* Additional authors of this source file include:
#-*		#-*
#-*		#-*
#-*		#-*
#Z* -------------------------------------------------------------------		#Z* -------------------------------------------------------------------
from __future__ import print_function		from __future__ import print_function
if __name__=='pymol.fitting':		if True:
cmd = __import__("sys").modules["pymol.cmd"]		cmd = __import__("sys").modules["pymol.cmd"]
from .cmd import _cmd,lock,unlock		from .cmd import _cmd,lock,unlock
from . import selector		from . import selector
import os		import os
import pymol		import pymol
from .cmd import _cmd,lock,unlock,Shortcut, \		from .cmd import _cmd,lock,unlock,Shortcut, \
DEFAULT_ERROR, DEFAULT_SUCCESS, _raising, is_ok, is_error		DEFAULT_ERROR, DEFAULT_SUCCESS, _raising, is_ok, is_error
skipping to change at line 732		skipping to change at line 732
internally, you can provide just two selections. Otherwise, you		internally, you can provide just two selections. Otherwise, you
may need to specify each pair of atoms separately, two by two, as		may need to specify each pair of atoms separately, two by two, as
additional arguments to pair_fit.		additional arguments to pair_fit.
Script files are usually recommended when using this command.		Script files are usually recommended when using this command.
SEE ALSO		SEE ALSO
fit, rms, rms_cur, intra_fit, intra_rms, intra_rms_cur		fit, rms, rms_cur, intra_fit, intra_rms, intra_rms_cur
'''		'''
_self = kw.get('_self',cmd)		_self = kw.pop('_self',cmd)
		quiet = int(kw.pop('quiet', 0))
		if kw:
		raise pymol.CmdException('unexpected keyword arguments: ' + str(
		list(kw)))
r = DEFAULT_ERROR		r = DEFAULT_ERROR
if len(arg) < 2:		if len(arg) < 2:
raise pymol.CmdException('need at least 2 selection')		raise pymol.CmdException('need at least 2 selection')
if len(arg) % 2:		if len(arg) % 2:
raise pymol.CmdException('need even number of selections')		raise pymol.CmdException('need even number of selections')
new_arg = list(map(selector.process, arg))		new_arg = list(map(selector.process, arg))
try:		try:
_self.lock(_self)		_self.lock(_self)
r = _cmd.fit_pairs(_self._COb,new_arg)		r = _cmd.fit_pairs(_self._COb,new_arg, quiet)
finally:		finally:
_self.unlock(r,_self)		_self.unlock(r,_self)
if _self._raising(r,_self): raise pymol.CmdException		if _self._raising(r,_self): raise pymol.CmdException
return r		return r
End of changes. 3 change blocks.
3 lines changed or deleted		9 lines changed or added

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