maj cata Gromacs

diff --git a/InterfaceQT4/monWidgetCB.py b/InterfaceQT4/monWidgetCB.py
index 4a6e543b41abba4a03804a27f3a606fcc1383e23..3e12bb6b8a8b0502afc3ba248a91ec0fd609258c 100644 (file)
--- 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 fe5f5df4509805792949cfbed350facac870845a..304c55d5979c6feeaabf3481cc00892d0f40afae 100644 (file)
--- 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 4915e967616f8268f7f2ccf3190e4b448c53bc0b..94930293254a8af7f1ec1feecf0c6d13525404d9 100644 (file)
--- 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"',