pour eviter les globaux dans les interactions

diff --git a/Vimmp/cata_Vimmp.py b/Vimmp/cata_Vimmp.py
index 94930293254a8af7f1ec1feecf0c6d13525404d9..d708ce2e31c674982ab6dd615ce70b6be221df03 100644 (file)
--- a/Vimmp/cata_Vimmp.py
+++ b/Vimmp/cata_Vimmp.py
@@ -154,27 +154,42 @@ Study = OPER(nom = 'Study', sd_prod = StudySD,
 
                Bonded_Interactions = FACT( statut='o', max = "**",
 
-                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'),
+                #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'),
+                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'),
 
                 #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_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_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"',
-                            Mean_Bond_Angle  = SIMP( statut='o', typ='R', val_min=0),
-                         ), # fin Bond_Length_Parameters
-                     ), # fin Bond_Length_Parameters 
+                bloc_covalent_length = BLOC( condition = 'Type_Of_Bonded_Interaction == "Covalent Bond Length"',
+                   Interaction_Length_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),
+                       Mean_Bond_Length          = SIMP( statut='o', typ='R', val_min=0),
+                     ), # fin Interation_Length_Parameters 
+                ), # fin Bond_Length_Parameters
+                bloc_covalent_angle = BLOC( condition = 'Type_Of_Bonded_Interaction == "Covalent Bond Angle"',
+                   Interaction_Angles_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),
+                       Mean_Bond_Angle           = SIMP( statut='o', typ='R', val_min=0),
+                   ), # fin Interation_Angles_Parameters 
                 ), # fin bloc_covalent_length_and_angle
 
+                #bloc_covalent_length_and_angle = BLOC( condition = 'Type_Of_Bonded_Interaction == "Covalent Bond Length" or Type_Of_Bonded_Interaction == "Covalent Bond Angle"',
+                #   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_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"',
+                #            Mean_Bond_Angle  = SIMP( statut='o', typ='R', val_min=0),
+                #         ), # fin Bond_Length_Parameters
+                #     ), # fin Bond_Length_Parameters 
+                #), # fin bloc_covalent_length_and_angle
+
                 bloc_FENE = BLOC( condition = 'Type_Of_Bonded_Interaction == "FENE"',
                    Applies_To_All_Particles = SIMP( statut='o', typ=bool, defaut=True), 
                    bloc_not_on_all = BLOC( condition = 'Applies_To_All_Particles == False',