From cadcc1c066e55b5d9fa94036ce5f598fdd336331 Mon Sep 17 00:00:00 2001 From: Eric Fayolle Date: Tue, 30 Apr 2019 11:56:31 +0200 Subject: [PATCH] maj cata Gromacs --- InterfaceQT4/monWidgetCB.py | 3 ++- Noyau/N_OBJECT.py | 2 ++ Vimmp/cata_Vimmp.py | 22 ++++++++++++---------- 3 files changed, 16 insertions(+), 11 deletions(-) diff --git a/InterfaceQT4/monWidgetCB.py b/InterfaceQT4/monWidgetCB.py index 4a6e543b..3e12bb6b 100644 --- a/InterfaceQT4/monWidgetCB.py +++ b/InterfaceQT4/monWidgetCB.py @@ -45,6 +45,7 @@ class MonWidgetCBCommun (Feuille): self.determineChoix() self.setValeursApresBouton() self.CBChoix.currentIndexChanged.connect(self.choixSaisi) + self.CBChoix.wheelEvent=self.wheelEvent self.parentQt.commandesLayout.insertWidget(-1,self) self.maCommande.listeAffichageWidget.append(self.CBChoix) self.AAfficher=self.CBChoix @@ -84,7 +85,7 @@ class MonWidgetCBCommun (Feuille): def wheelEvent(self, event): # Sinon poum sur les fenetres trop longues # lorsque la widget attrape le wheelevent - event.ignore(); + event.ignore() class MonWidgetCB (Ui_WidgetCB, MonWidgetCBCommun): diff --git a/Noyau/N_OBJECT.py b/Noyau/N_OBJECT.py index fe5f5df4..304c55d5 100644 --- a/Noyau/N_OBJECT.py +++ b/Noyau/N_OBJECT.py @@ -150,6 +150,8 @@ class OBJECT(object): if classeACreer in list(self.jdc.utilise_un_sds_dict.keys()): for MC in self.jdc.utilise_un_sds_dict[classeACreer] : + #PNPNPN + if MC.valeur == None : return if MC.definition.max == 1 : if isinstance(MC.valeur, str) and MC.valeur in list(self.jdc.sds_dict.keys()): MC.valeur=self.jdc.sds_dict[MC.valeur] diff --git a/Vimmp/cata_Vimmp.py b/Vimmp/cata_Vimmp.py index 4915e967..94930293 100644 --- a/Vimmp/cata_Vimmp.py +++ b/Vimmp/cata_Vimmp.py @@ -10,14 +10,14 @@ from Accas import * class Elementary_Surface(UserASSD): pass class StudySD(ASSD) : pass class Specie(UserASSD) : pass -class Bondedparticle(UserASSD) : pass +class BondedParticle(UserASSD) : pass def creeSpecie(MC) : MC.creeObjetClasse(Specie) return -def creeBondedparticle(MC) : - MC.creeObjetClasse(Bondedparticle) +def creeBondedParticle(MC) : + MC.creeObjetClasse(BondedParticle) return def creeSurfaceElementaire(MC) : @@ -144,7 +144,7 @@ Study = OPER(nom = 'Study', sd_prod = StudySD, List_Of_Bonded_Particles = FACT( statut='f', # -------------------------------------------# Bonded_Particles = FACT( statut='o', max = "**", - Name_Of_Bonded_Particles = SIMP( statut='o', typ='TXM',siValide=creeBondedparticle ), + Name_Of_Bonded_Particles = SIMP( statut='o', typ='TXM',siValide=creeBondedParticle ), Species_in_Particle = SIMP( statut='o', min=2, typ=Specie , max = "**"), ), # Bonded_Particles ), # List_Of_Bonded_Particles @@ -156,15 +156,17 @@ Study = OPER(nom = 'Study', sd_prod = StudySD, Type_Of_Bonded_Interaction = SIMP( statut='o', typ='TXM', into=['No', 'Covalent Bond Length', 'FENE', 'Covalent Bond Angle', 'Dihedral Angles', 'Improper Dihedral', 'Frozen Motion' ], defaut='No', position='global'), - bloc_covalent_1 = BLOC( condition = 'Type_Of_Bonded_Interaction in ("Covalent Bond Length","FENE")', - Name_of_Bonded_Particle = SIMP( statut='o', typ=Bondedparticle), - ), # fin bloc_covalent_1 + #La saisie de l'ensemble des liaisons d'un meme type peut se faire ds le meme bloc (soit ds un fichier, soit manuelle) + #Une seule valeur de distante? est a saisir pour l'ensemble + # bloc_covalent_1 = BLOC( condition = 'Type_Of_Bonded_Interaction in ("Covalent Bond Length","FENE")', + # Name_of_Bonded_Particle = SIMP( statut='o', typ=BondedParticle), + # ), # fin bloc_covalent_1 bloc_covalent_length_and_angle = BLOC( condition = 'Type_Of_Bonded_Interaction == "Covalent Bond Length" or Type_Of_Bonded_Interaction == "Covalent Bond Angle"', - Bond_Length_Parameters = FACT( statut='o', max="**", - Species_Pair = SIMP( statut='o', max=2, typ='TXM'), + Bond_Parameters = FACT( statut='o', max="**", + Apply_To_Bonded_Particles = SIMP( statut='o', max='**', typ=BondedParticle), Spring_Stifness = SIMP( statut='o', typ='R', val_min=0), - bloc_covalent_lengtht = BLOC( condition = 'Type_Of_Bonded_Interaction == "Covalent Bond Length"', + bloc_covalent_length = BLOC( condition = 'Type_Of_Bonded_Interaction == "Covalent Bond Length"', Mean_Bond_Length = SIMP( statut='o', typ='R', val_min=0), ), # fin Bond_Length_Parameters bloc_covalent_angle = BLOC( condition = 'Type_Of_Bonded_Interaction == "Covalent Bond Angle"', -- 2.39.2