def modifyAdjustAll(self):
"""
Adjust all atoms.
"""
if debug_flags.atom_debug:
print "debug: reloading sim_commandruns on each use, for development"
import simulation.sim_commandruns as sim_commandruns
reload_once_per_event(sim_commandruns)
from simulation.sim_commandruns import Minimize_CommandRun
cmdrun = Minimize_CommandRun( self, 'All', type = 'Adjust')
cmdrun.run()
return
def modifyAdjustAll(self):
"""
Adjust all atoms.
"""
if debug_flags.atom_debug:
print "debug: reloading sim_commandruns on each use, for development"
import simulation.sim_commandruns as sim_commandruns
reload_once_per_event(sim_commandruns)
from simulation.sim_commandruns import Minimize_CommandRun
cmdrun = Minimize_CommandRun( self, 'All', type = 'Adjust')
cmdrun.run()
return
def reload_once(module):
"""
This function is used to support automatic runtime reloading of modules
within this package, for developer convenience. To use it, add this code
before any import of symbols from a module (or use this code in place of
any direct import of a module):
# import module
# reload_once(module)
Warning: not all modules support runtime reload. Those that don't should
say so in their docstrings.
Warning: this system does not yet properly handle indirect imports, when
only the inner module has been modified. See code comments for details,
especially the docstring of debug.reload_once_per_event(). As a workaround,
if A imports B and you edit B.py, also edit A.py in order to trigger the
desired runtime reload of B.py.
"""
# this comment become obsolete when exprs.basic was split into separate files:
##Note: this function's module (exprs.basic itself) is fast and harmless enough to reload that it can be
##reloaded on every use, without bothering to use reload_once. Therefore, external callers of anything
##in the exprs package can always "import basic;reload(basic)" first, and if they do, all modules within
##exprs can just start with "from basic import *". But for clarity, some of them call reload_once on basic too.
if (
not EndUser.enableDeveloperFeatures()
): #070627 precaution; should improve by making this only affect default value of a debug_pref ###TODO
return
if not ENABLE_RELOAD:
def printfyi(
msg
): # WARNING: dup code, inlining py_utils version since not yet imported
msg = "fyi (printonce): " + msg
from foundation.env import seen_before
if not seen_before(msg):
print msg
if 1:
## printfyi( "exprs modules won't be reloaded during this session" ) # 070627 removed this
return
reload_once_per_event(module,
always_print=True,
never_again=False,
counter=exprs_globals.reload_counter,
check_modtime=True)
return
def localmin(self, atom, nlayers): #bruce 051207 #e might generalize to
#take a list or pair of atoms, other
#options
if debug_flags.atom_debug:
print "debug: reloading sim_commandruns on each use, for development"\
"[localmin %s, %d]" % (atom, nlayers)
import simulation.sim_commandruns as sim_commandruns
reload_once_per_event(sim_commandruns) #bruce 060705 revised this
if 1:
# this does not work,
#I don't know why, should fix sometime: [bruce 060705]
self.set_cmdname("Adjust Atoms") # for Undo (should we be more
#specific, like the menu text was?
#why didn't that get used?)
from simulation.sim_commandruns import LocalMinimize_function # should not be toplevel
LocalMinimize_function( [atom], nlayers )
return
def localmin(self, atom, nlayers): #bruce 051207 #e might generalize to
#take a list or pair of atoms, other
#options
if debug_flags.atom_debug:
print "debug: reloading sim_commandruns on each use, for development"\
"[localmin %s, %d]" % (atom, nlayers)
import simulation.sim_commandruns as sim_commandruns
reload_once_per_event(sim_commandruns) #bruce 060705 revised this
if 1:
# this does not work,
#I don't know why, should fix sometime: [bruce 060705]
self.set_cmdname("Adjust Atoms") # for Undo (should we be more
#specific, like the menu text was?
#why didn't that get used?)
from simulation.sim_commandruns import LocalMinimize_function # should not be toplevel
LocalMinimize_function( [atom], nlayers )
return
def reload_once(module):
"""
This function is used to support automatic runtime reloading of modules
within this package, for developer convenience. To use it, add this code
before any import of symbols from a module (or use this code in place of
any direct import of a module):
# import module
# reload_once(module)
Warning: not all modules support runtime reload. Those that don't should
say so in their docstrings.
Warning: this system does not yet properly handle indirect imports, when
only the inner module has been modified. See code comments for details,
especially the docstring of debug.reload_once_per_event(). As a workaround,
if A imports B and you edit B.py, also edit A.py in order to trigger the
desired runtime reload of B.py.
"""
# this comment become obsolete when exprs.basic was split into separate files:
##Note: this function's module (exprs.basic itself) is fast and harmless enough to reload that it can be
##reloaded on every use, without bothering to use reload_once. Therefore, external callers of anything
##in the exprs package can always "import basic;reload(basic)" first, and if they do, all modules within
##exprs can just start with "from basic import *". But for clarity, some of them call reload_once on basic too.
if (not EndUser.enableDeveloperFeatures()): #070627 precaution; should improve by making this only affect default value of a debug_pref ###TODO
return
if not ENABLE_RELOAD:
def printfyi(msg): # WARNING: dup code, inlining py_utils version since not yet imported
msg = "fyi (printonce): " + msg
from foundation.env import seen_before
if not seen_before(msg):
print msg
if 1:
## printfyi( "exprs modules won't be reloaded during this session" ) # 070627 removed this
return
reload_once_per_event(module,
always_print = True,
never_again = False,
counter = exprs_globals.reload_counter,
check_modtime = True)
return
def ok_btn_clicked(self):
"""
Slot for OK button
"""
QDialog.accept(self)
if env.debug():
print "ok"
self.gather_parameters()
### kluge: has side effect on env.prefs
# (should we pass these as arg to Minimize_CommandRun rather than thru env.prefs??)
if debug_flags.atom_debug:
print "debug: reloading runSim & sim_commandruns on each use, for development"
import simulation.runSim as runSim
reload_once_per_event(runSim)
# bug: only works some of the times runSim.py is modified,
# don't know why; might be that sim_commandruns.py
# also needs to be modified, but touching them both
# doesn't seem to work consistently either.
# [bruce 080520]
import simulation.sim_commandruns as sim_commandruns
reload_once_per_event(sim_commandruns)
from simulation.sim_commandruns import Minimize_CommandRun
# do this in gather?
if self.minimize_all_rbtn.isChecked():
self.seltype = 'All'
seltype_name = "All"
else:
self.seltype = 'Sel'
seltype_name = "Selection"
self.win.assy.current_command_info(
cmdname=self.plain_cmdname +
" (%s)" % seltype_name) # cmdname for Undo
update_cond = self.ruc.get_update_cond_from_widgets()
engine = self.minimize_engine_combobox.currentIndex()
env.prefs[Minimize_minimizationEngine_prefs_key] = engine
cmdrun = Minimize_CommandRun(self.win,
self.seltype,
type='Minimize',
update_cond=update_cond,
engine=engine)
cmdrun.run()
return
def ok_btn_clicked(self):
"""
Slot for OK button
"""
QDialog.accept(self)
if env.debug():
print "ok"
self.gather_parameters()
### kluge: has side effect on env.prefs
# (should we pass these as arg to Minimize_CommandRun rather than thru env.prefs??)
if debug_flags.atom_debug:
print "debug: reloading runSim & sim_commandruns on each use, for development"
import simulation.runSim as runSim
reload_once_per_event(runSim)
# bug: only works some of the times runSim.py is modified,
# don't know why; might be that sim_commandruns.py
# also needs to be modified, but touching them both
# doesn't seem to work consistently either.
# [bruce 080520]
import simulation.sim_commandruns as sim_commandruns
reload_once_per_event(sim_commandruns)
from simulation.sim_commandruns import Minimize_CommandRun
# do this in gather?
if self.minimize_all_rbtn.isChecked():
self.seltype = 'All'
seltype_name = "All"
else:
self.seltype = 'Sel'
seltype_name = "Selection"
self.win.assy.current_command_info(cmdname = self.plain_cmdname + " (%s)" % seltype_name) # cmdname for Undo
update_cond = self.ruc.get_update_cond_from_widgets()
engine = self.minimize_engine_combobox.currentIndex()
env.prefs[Minimize_minimizationEngine_prefs_key] = engine
cmdrun = Minimize_CommandRun( self.win, self.seltype, type = 'Minimize', update_cond = update_cond, engine = engine)
cmdrun.run()
return
