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 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