def write_sk_inp(species_kept, dir_mech_de, dir_mech_sk, notes):
species_kept = list(species_kept)
n_sp = len(species_kept)
print('total: ' + str(n_sp))
notes.append('! number of species = ' + str(n_sp))
skeletal(dir_mech_de, dir_mech_sk, species_kept, notes=notes)
ck2cti(dir_mech_sk)
f = open(os.path.join(dir_mech_sk, 'ns.txt'), 'w')
f.write(str(n_sp))
f.close()
def set_soln(self, mech_name): dir_desk = os.path.join(self.wm.project['dir_public'],mech_name) dir_desk_mech = os.path.join(dir_desk,'mech') path_cti = os.path.join(dir_desk,'chem.cti') if not os.path.exists(path_cti): ctOK = ck2cti(dir_desk_mech) if ctOK not True: msg = 'errors in reading mech files, \nplease check output files' QMessageBox.information(QWidget(),'',msg) return None
def act_set(self):
if self.read_path():
dir_desk = self.data['desk']
path_cti = os.path.join(dir_desk,'mech','chem.cti')
if not os.path.exists(path_cti):
dir_desk = self.data['desk']
dir_desk_mech = os.path.join(dir_desk,'mech')
path_cti = os.path.join(dir_desk_mech,'chem.cti')
if not os.path.exists(dir_desk_mech):
os.makedirs(dir_desk_mech)
shutil.copy(self.data['chem'],os.path.join(dir_desk_mech,'chem0.inp'))
shutil.copy(self.data['therm'],os.path.join(dir_desk_mech,'therm0.dat'))
fun_cleanck(dir_desk_mech)
self.w.btn_save.setEnabled(False)
self.w.btn_save.setText('setting...')
self.parent.app.processEvents()
if ck2cti(dir_desk_mech):
self.no_set = False
self.soln = ct.Solution(path_cti)
self.soln_in = ct.Solution(path_cti)
n_sp = self.soln.n_species
f = open(os.path.join(dir_desk_mech,'ns.txt'),'w')
f.write(str(n_sp))
f.close()
self.act_ns()
self.w.btn_save.setEnabled(True)
self.w.btn_save.setText('save')
self.parent.app.processEvents()
return True
else:
return False