def count_atoms(selection="(all)",quiet=1,state=0,domain='',_self=cmd):
'''
DESCRIPTION
"count_atoms" returns a count of atoms in a selection.
USAGE
count_atoms (selection)
PYMOL API
cmd.count_atoms(string selection)
'''
r = DEFAULT_ERROR
# preprocess selection
selection = selector.process(selection)
#
try:
_self.lock(_self)
r = _cmd.select(_self._COb,"_count_tmp","("+str(selection)+")",1,int(state)-1,str(domain))
_cmd.delete(_self._COb,"_count_tmp")
finally:
_self.unlock(r,_self)
if not quiet: print " count_atoms: %d atoms"%r
if _raising(r,_self): raise pymol.CmdException
return r
def indicate(selection="(all)",_self=cmd):
'''
DESCRIPTION
"indicate" shows a visual representation of an atom selection.
USAGE
indicate (selection)
PYMOL API
cmd.count(string selection)
'''
r = DEFAULT_ERROR
# preprocess selection
selection = selector.process(selection)
#
try:
_self.lock(_self)
r = _cmd.select(_self._COb,"indicate","("+str(selection)+")",1,-1,'')
if is_error(r):
_self.delete("indicate")
else:
_self.enable("indicate")
finally:
_self.unlock(r,_self)
if _self._raising(r,_self): raise pymol.CmdException
return r
def count_atoms(selection="(all)", quiet=1, state=0, domain='', _self=cmd):
'''
DESCRIPTION
"count_atoms" returns a count of atoms in a selection.
USAGE
count_atoms (selection)
PYMOL API
cmd.count_atoms(string selection)
'''
r = DEFAULT_ERROR
# preprocess selection
selection = selector.process(selection)
#
try:
_self.lock(_self)
r = _cmd.select(_self._COb, "_count_tmp",
"(" + str(selection) + ")", 1,
int(state) - 1, str(domain))
_cmd.delete(_self._COb, "_count_tmp")
finally:
_self.unlock(r, _self)
if not quiet: print " count_atoms: %d atoms" % r
if _raising(r, _self): raise pymol.CmdException
return r
def select(name, selection="", enable=-1, quiet=1, merge=0, state=0, domain='',_self=cmd):
'''
DESCRIPTION
"select" creates a named atom selection from a
selection-expression.
USAGE
select name, selection [, enable [, quiet [, merge [, state [, domain ]]]]]
ARGUMENTS
name = a unique name for the selection
selection = a selection-expression
NOTES
If a selection-expression with explicit surrounding parethenses is
provided as the first argument, then the default selection name
is used as the name argument.
EXAMPLES
select chA, chain A
select ( resn his )
select near142, resi 142 around 5
PYMOL API
cmd.select(string name, string selection)
SEE ALSO
delete
'''
r = DEFAULT_ERROR
try:
_self.lock(_self)
if selection=="":
selection = name
if _cmd.get(_self._COb,"auto_number_selections")!=0.0:
sel_cnt = _cmd.get(_self._COb,"sel_counter") + 1.0
_cmd.legacy_set(_self._COb,"sel_counter","%1.0f" % sel_cnt)
name = "sel%02.0f" % sel_cnt
else:
name = "sele"
if name == None:
sel_cnt = _cmd.get(_self._COb,"sel_counter") + 1.0
_cmd.legacy_set(_self._COb,"sel_counter","%1.0f" % sel_cnt)
name = "sel%02.0f" % sel_cnt
# preprocess selection (note: inside TRY)
selection = selector.process(selection)
merge = int(merge)
if merge==1:
selection = "("+selection+") or ?"+name # merge if exists
elif merge==2:
selection = "("+selection+") or ??"+name # merge if exists and active
#
r = _cmd.select(_self._COb,str(name),str(selection),int(quiet),int(state)-1,str(domain))
enable = int(enable)
if is_ok(r) and enable>0:
_cmd.onoff(_self._COb,str(name),1,0);
elif enable == 0:
_cmd.onoff(_self._COb,str(name),0,0)
finally:
_self.unlock(r,_self)
if _self._raising(r,_self): raise pymol.CmdException
return r