--- /dev/null
+# coding: utf-8 -*-
+#
+
+import os
+import types
+monFile=os.path.abspath(__file__)
+
+# ------------------------------------------------- Definition fonction utilisateur
+from Accas import *
+class Surface_Elementaire(UserASSD): pass
+class StudySD(ASSD) : pass
+class Specie(UserASSD) : pass
+class Bondedparticle(UserASSD) : pass
+
+def creeSpecie(MC) :
+ MC.creeObjetClasse(Specie)
+ return
+
+def creeBondedparticle(MC) :
+ MC.creeObjetClasse(Bondedparticle)
+ return
+
+def creeSurfaceElementaire(MC) :
+ MC.creeObjetClasse(Surface_Elementaire)
+ return
+
+# ------------------------------------------------- Definition fonction du catalogue ou macro
+
+def champ(nomDelaContante, labels ,nbReels ) :
+# ajouter les extensions pour le fichier et les blocs associes
+# certains champs ne seront jamais uniformes
+ #Input_Mode = SIMP( statut='o', typ='TXM', into=('uniform value','values directly assigned','values read in file','analytical function', 'call to a service')),
+#PNPN : Passer le nom du champ pour le label du vecteur
+ dicoBloc = {}
+ dicoBloc[nomDelaContante] = SIMP( statut='o', typ='R')
+ return FACT( statut='o',
+ Input_Mode = SIMP( statut='o', typ='TXM', into=('uniform value','values directly assigned','values read in file','analytical function',)),
+ b_uniforme = BLOC( condition = "Input_Mode == 'uniform value'", **dicoBloc),
+ b_vsaisies = BLOC( condition = "Input_Mode == 'values directly assigned'",
+ Field = SIMP( typ='R', statut='o', max ='**'),
+ #Vecteur = SIMP( fenetreIhm='Tableau', homo = labels,
+ # statut='o', min=2, max='**',
+ # typ=Tuple(nbReels),
+ # validators=VerifTypeTuple(("'R',"*nbReels),),) # end particle
+ ), #b_vsaisie
+ b_vdsfich = BLOC( condition = "Input_Mode == 'values read in file'",
+ Format = SIMP( statut='o', typ='TXM', into=['txt','Med',], position='global' ),
+ td_txt = BLOC_FICHIER(condition = 'Format == "txt"',
+ File = SIMP( statut='o', typ=('File','Text Files(*.txt);All Files (*)'),),
+ ),
+ td_med_1 = BLOC_FICHIER( condition = 'Format == "Med"',
+ File = SIMP( statut='o', typ=('File','Med Files(*.med);All Files (*)'),),
+ ),
+ td_med_2 = BLOC( condition = 'Format == "Med"',
+ FieldName = SIMP( statut='o', typ='TXM',),
+ ),
+ ),
+ b_vfct = BLOC( condition = "Input_Mode == 'analytical function'",
+ Function = SIMP( statut='o', typ='TXM',),
+ ),
+ #b_vserc = BLOC( condition = "Input_Mode == 'call to a service'",
+ # Service = SIMP( statut='o', typ='TXM',),
+ #),
+ )
+
+
+def BlocPourLesFiles(laCondition, NomDuFile, ListeFormats):
+ SIMPFormatFile = SIMP( statut='o', typ='TXM', into=tuple(ListeFormats) +('others',),)
+ dicoDesBlocs = {}
+ for formatFich in ListeFormats :
+ nomBloc = 'b_File_Format' + str(formatFich)
+ typeDesFiles = ('File', formatFich + " Files (*." + formatFich + ");;All Files (*)",)
+ blocCondition = "Format_File == '" + formatFich + "'"
+ dicoDesBlocs[nomBloc] = BLOC_FICHIER( condition = blocCondition, NomDuFile = SIMP( statut='o', typ=typeDesFiles ),)
+ dicoDesBlocs['b_File_Format_others'] = BLOC_FICHIER(condition = "Format_File == 'others'", NomDuFile = SIMP( statut='o', typ=('File','All Files (*)'),),)
+ return BLOC( condition = laCondition, Format_File = SIMPFormatFile, **dicoDesBlocs)
+
+
+# ____________________________________________________________________________________________ #
+
+JdC = JDC_CATA(code='Vimmp',fichierSource=monFile)
+
+
+Study = OPER(nom = 'Study', sd_prod = StudySD,
+ Title = SIMP( statut='o', typ='TXM'),
+ Simulated_Time_Lapse = FACT( statut='o',
+ Initial_Time = SIMP( statut='o', typ='R'),
+ Duration = SIMP( statut='o', typ='R'),
+ ),
+#
+ Geometric_Domain= FACT( statut='o',
+ Shape = SIMP( statut='o', typ='TXM', into=['Shape Simplifiee', 'CAD or Mesh']),
+ b_Shape = BLOC( condition = 'Shape == "Shape Simplifiee"',
+ Box = SIMP( statut='o', typ='TXM', into=['Cube', 'Sphere','Cylinder'] ),
+ b_Cube = BLOC( condition = 'Box == "Cube"',
+ #Taille_Box_Englobante = SIMP( statut='o', typ='R', max=3, min =3)
+ # derait etre un Tuple(3) mais a faire apres la projection
+ Size_Of_Bounding_Box = SIMP( statut='o', typ=Tuple(3), validators=VerifTypeTuple(('R','R','R'),),)
+ ), # fin b_Cube
+ b_Boule = BLOC( condition = 'Box == "Sphere"',
+ Center = SIMP( statut='o', typ='R', max=3, min =3),
+ # devrait etre un Tuple(3) mais a faire apres la projection
+ ),# fin b_Boule
+ b_Cylinder = BLOC( condition = 'Box == "Cylinder"',
+ Heigth = SIMP( statut="o", typ='R', val_min=0.0, ang='Nanotube length [m]'),
+ ),# fin b_Tube
+ b_Boule_ou_Cylinder = BLOC( condition = 'Box == "Sphere" or Box == "Cylinder"',
+ Radius = SIMP( statut='o', typ='R', val_min=0.0, ang='radius length [m]') ,
+ ),# fin b_Boule_ouCylinder
+ ), # fin b_Shape
+#
+ b_CAO = BlocPourLesFiles( "Shape == 'CAD or Mesh'",'Domain_File', ['txt','med','I-deas', 'Gmsh', 'top',]),
+
+ Elementary_Surface=SIMP( statut='o', typ='TXM',max='**', siValide=creeSurfaceElementaire),
+ ), # fin Geometric_Domain
+
+
+# ----------------------------------------------------------------- System_Component ---------------------------------------------------------------------------#
+ System_Component= FACT( statut='o', max = "**",
+
+ Component = SIMP( statut='o', typ='TXM', into=['particle', 'Fluid','Solid ',], position='global'),
+ # Physical_Description = FACT( min=1, max= 2, statut='o',
+ # PN : je ne comprends pas. cela n a pas de sens ??
+
+ General_Level_Of_Description = SIMP( statut='o', typ='TXM', into=['Microscopic','Mesoscopic', 'Macroscopic'] ),
+
+ b_particle = BLOC( condition = "Component == 'particle'",
+ #-----------------------------------------------------#
+ Physical_Description_particle = FACT( statut='o',
+ #-----------------------------------------------------#
+
+ List_Of_Species = FACT( statut='o',
+ # ------------------------------#
+ Number_Of_Species = SIMP( statut='o', typ='I', defaut=1, position='global_jdc'),
+ Specie = FACT( statut='o', max ="**",
+ Name_Of_Specie = SIMP( statut='o', typ='TXM', siValide=creeSpecie),
+ Mass_Molaire = SIMP( statut='o', typ='R',),
+ Mass_Fraction = SIMP( statut='f', typ='R',),
+ b_Electrostatique = BLOC( condition = "Permittivity != None",
+ Charge = SIMP( statut='o', typ='R'),
+ ), # fin b_Electrostatic
+ ), # fin Specie
+ ), # fin List_Of_Species
+
+ List_Of_Bonded_Particles = FACT( statut='f',
+ # -------------------------------------------#
+ Bonded_Particles = FACT( statut='o', max = "**",
+ Name_Of_Bonded_Particles = SIMP( statut='o', typ='TXM',siValide=creeBondedparticle ),
+ List_Of_Species = SIMP( statut='o', min=2, typ=Specie , max = "**"),
+ ), # Bonded_Particles
+ ), # List_Of_Bonded_Particles
+
+ List_Of_Interactions = FACT( statut='o', max = "**",
+ # --------------------------------------------------#
+
+ 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'),
+
+ 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 = BLOC( condition = 'Type_Of_Bonded_Interaction == "Covalent Bond Length"',
+ Bond_Length_Parameters = FACT( statut='o', max="**",
+ Species_Pair = SIMP( statut='o', max=2, typ='TXM'),
+ Spring_Stifness = SIMP( statut='o', typ='R', val_min=0),
+ Mean_Bond_Average = SIMP( statut='o', typ='R', val_min=0),
+ ), # fin Bond_Length_Parameters
+ ), # fin bloc_covalent
+
+ 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',
+ FENE_Parameters = FACT( statut='o', max="**",
+ Species_Pair = SIMP( statut='o', max=2, typ='TXM'),
+ Spring_Constant_H = SIMP( statut='o', typ='R', val_min=0),
+ LMax = SIMP( statut='o', typ='R', val_min=0),
+ ), # fin FENE_Parameters
+ ), # fin bloc_not_on_all
+ bloc_on_all = BLOC( condition = 'Applies_To_All_Particles == True',
+ Spring_Constant_H = SIMP( statut='o', typ='R', val_min=0),
+ LMax = SIMP( statut='o', typ='R', val_min=0),
+ ), # fin bloc_on_all
+ ), # fin bloc_FENE
+
+ bloc_le_reste = BLOC( condition = 'Type_Of_Bonded_Interaction in ("Covalent Bond Angle", "Dihedral Angles", "Improper Dihedral", "Frozen Motion")',
+ Particle_Name = SIMP( statut="f", typ='TXM'),
+ Consigne = SIMP( statut="o", homo="information", typ="TXM", defaut='Not Implemented Yet'),
+
+ ),
+ ), # fin Bonded_Interaction
+
+ # ------------------------------- #
+
+ Unbonded_Interactions = FACT( statut='o',
+
+ Type_Of_Unbonded_Interaction = SIMP( statut='o', typ='TXM', into=['No', 'electro_magnetic', 'Repulsion_and_VdW', 'Soft_Potentiel', ], defaut='No', position='global',fenetreIhm='menuDeroulant'),
+
+ bloc_elec = BLOC( condition = 'Type_Of_Unbonded_Interaction == "electro_magnetic"',
+ Permittivity = SIMP( statut='o', typ='R', position='global'),
+ Magnetic = SIMP( statut='o', typ=bool, defaut=False,),
+ bloc_magnetic = BLOC( condition = 'Magnetic == True',
+ Permability = SIMP( statut='o', typ='R'),
+ ), # bloc_magnetic
+ ),# fin bloc_elec
+
+ bloc_VdW = BLOC( condition = 'Type_Of_Unbonded_Interaction == "Repulsion_and_VdW"',
+ type_Repulsion_and_VdW = SIMP( statut='o', typ='TXM', into = [ 'Lennard_Jones', 'Hard_sphere_model'], position='global' ),
+ ), # fin bloc_VdW
+
+ bloc_not_elec = BLOC( condition = 'Type_Of_Unbonded_Interaction not in( "electro_magnetic", "no") ',
+ Species_Pair_Parameters = FACT( statut='o', max="**",
+ Species_Pair = SIMP( statut='o', max=2, typ='TXM'),
+ b_Param_Potential_Type_LJ_1 = BLOC( condition = "Type_Of_Unbonded_Interaction == 'Repulsion_and_VdW'",
+ Radius = SIMP( statut='o', typ='R', val_min=0),
+ b_PPal_LJ2 = BLOC( condition = "type_Repulsion_and_VdW == 'Lennard_Jones'",
+ Depth_Of_The_Potential_Well = SIMP( statut='o', typ='R', val_min=0),
+ ), # fin b_b_PPal_LJ2
+ ), # fin b_Param_Potential_Type_LJ_1
+
+ b_Param_Soft_Potentiel = BLOC( condition = "Type_Of_Unbonded_Interaction == 'Soft_Potentiel'",
+ Groot_Warren_Repulsion = SIMP( statut='o', typ='R', defaut=25.0, val_min=0),
+ Groot_Warren_Cutoff = SIMP( statut='o', typ='R', defaut=1.0, val_min=0),
+ Drag_Coefficient = SIMP( statut='o', typ='R'), # les 2 valent 0 pour MD
+ Drag_Force_Cutoff = SIMP( statut='o', typ='R', val_min=0),
+ ), # b_Param_Soft_Potentiel
+ ), # Species_Pair_Parameters
+ ),# fin bloc_not_elec
+
+ ), #fin UnBonded_Interactions
+
+ # ------------------------------- #
+
+ Interaction_External_Field = FACT( statut='o',
+ Type_of_External_Field = SIMP( statut='o', typ='TXM', into=['gravitational field','electric field','magnetic field', 'Hydrodynamic_Field']),
+ b_gravite = BLOC( condition = 'Type_Of_Interaction_With_An_External_Field=="gravitational field"',
+ G = SIMP( statut='o', typ='R', defaut=9.81),
+ ),
+ b_elect = BLOC( condition = 'Type_Of_Interaction_With_An_External_Field=="electric field"',
+ Electric_Field = champ('E', ('E',), 1),
+ ),
+ b_magnetic = BLOC( condition = 'Type_Of_Interaction_With_An_External_Field=="magnetic field"',
+ Magnetic_Field = champ('B', ('B',), 1),
+ ),
+ b_hydrodynamic = BLOC( condition = 'Type_Of_Interaction_With_An_External_Field=="hydrodynamic field"',
+ Hydrodynamic_Field = champ('U', ('U',), 1),
+ ),
+ Field_Applies_On_All_Species = SIMP( statut='o', typ=bool, defaut=True),
+ b_porte_espece = BLOC( condition = 'Field_Applies_On_All_Species == False ',
+ Species_List = SIMP( statut='o', typ='TXM', max= '**'), # faire un typ = "espece"
+ ),
+ ), # fin Interaction_External_Field
+
+ ), # fin List_Of_Interactions
+
+ ), # fin Physical_Description_particle
+
+ ), #fin b_particle
+ #--------------------------------------#
+ Description = FACT( min=1, max =2, statut='o',
+ #-------------------------------------#
+ #EFEFEF : La description choisie donne la liste des modèles numériques disponibles pour cette description
+
+ Description_Type = SIMP( statut='o', typ='TXM', into=['Particle_description', 'Field_description'],),
+ Type_Of_Entity = SIMP( statut='o', typ='TXM', into=['Electron', 'Atom', 'Grain', 'CVE']),
+ b_particle = BLOC( condition = 'Description_Type == "Particle_description"',
+ Particle_Model = FACT( statut='o', max ='**',
+ Type_Of_Approach = SIMP( statut='o', typ='TXM', into=['Kinetic', 'Extended_Kinetic', 'Position']),
+ ), # Particle_Model
+ Definition_Numerical_Model = FACT( statut='o',
+ Numerical_Model = SIMP( statut='o', typ='TXM', into=['MD', 'DPD'], defaut='DPD',position='global'),
+ b_DPD_and_MD = BLOC( condition = 'Numerical_Model == "DPD" or Numerical_Model == "MD"' ,
+ Structure_Of_The_Evolution_Law = SIMP( statut='o', typ='TXM', into=['Langevin equations'], defaut='Langevin equations'),
+ ), # b_DPD_and_MD
+ ), # Definition_Numerical_Model
+ ), # b_particle
+
+ ), # Type_Of_Description
+ #), # Level_Of_Description
+
+ #-----------------------------------------------------#
+ Statistical_Physics = FACT( statut='f',
+ #-----------------------------------------------------#
+ Type_Of_Statistical_Physics = SIMP( statut='f', typ='TXM', into=['Equilibrium', 'Non_Equilibrium']),
+
+ b_Statistical_Physics_Equilibrium = BLOC( condition = "Type_Of_Statistical_Physics == 'Equilibrium'",
+ Distribution = SIMP( statut='o', typ='TXM', into=['nvt','nve']),
+ b_Nvt = BLOC( condition = "Distribution == 'nvt'",
+ Target_Temperature = SIMP( statut='o', typ='R')
+ ), # fin b_nvt
+
+ b_nve = BLOC( condition = "Distribution == 'nve'",
+ Target_Energie = SIMP( statut='o', typ='R')
+ ), # fin b_nve
+ ), # b_Physique_statstique_equilibre
+
+ b_Statistical_Physics_Equilibrium_false = BLOC( condition = "Type_Of_Statistical_Physics == 'Non_Equilibrium'",
+ Temperature = SIMP( statut='o', typ='R')
+ ), # b_Physique_statstique_equilibre
+
+ ), # fin Statistical_Physics
+
+
+ #-----------------------------------------------------#
+ Boundary_Conditions = FACT( statut='o',max = '**', # max = nb de facette de bord
+ #-----------------------------------------------------#
+ Type_Of_Boundary_Condition = SIMP( statut='o', typ='TXM', into=['Inlet', 'Outlet', 'Symmetry','Periodic', 'Wall'], position='global'),
+ Applies_To_The_Complete_State_Vector = SIMP( statut='o', typ=bool),
+ Boundary_Face = SIMP( statut='o', typ='TXM',),
+ b_periodique = BLOC( condition = "Type_Of_Boundary_Condition == 'Periodic'",
+ Direction = SIMP( statut='o', typ='TXM', into=['X','Y','Z', 'all']),
+ ), # b_periodique
+ b_Variable_CL = BLOC( condition = "Applies_To_The_Complete_State_Vector == False ",
+ Variable_of_State_Vector = SIMP( statut='o', typ='TXM'),
+ ), # b_Variable
+ ), # Boundary_Conditions
+ #-----------------------------------------------------#
+ Initials_Conditions = FACT( statut='o', # 1 par valeur du vecteur d etat
+ #-----------------------------------------------------#
+ Applies_To_The_Complete_State_Vector = SIMP( statut='o', typ=bool),
+ b_Variable_CI = BLOC( condition = "Applies_To_The_Complete_State_Vector == False ",
+ Initial_Condition_For_Each_Variable = FACT( max = "**", statut='o',
+ State_Vector_Variable = SIMP( statut='o', typ='TXM'),
+ Type_Initials_Conditions = SIMP( statut='o', typ='TXM', into=['Initial distribution of the state vector', 'Initial values of the state vector variables'], position='global'),
+ b_distrib = BLOC( condition = "Type_Initials_Conditions == 'Initial distribution of the state vector'",
+ State_Vector_Initial_Distribution = SIMP( statut='o', typ='TXM', into=['MaxWell', 'Uniform', 'Auto']),
+ Injection_Subdomain = SIMP( statut='f', typ='TXM'),
+ ),# b_distrib
+ b_initials = BLOC( condition = "Type_Initials_Conditions == 'Initial values of the state vector variables'",
+ File_Vecteur_Etat_Initial = SIMP( statut='o', typ=('File','All Files (*)'),),
+ Format_File_Vecteur_Etat_Initial = SIMP( statut='o', typ='TXM', into=['txt', 'a definir avec Eric']),
+ ),# b_initials
+ ),# Initial_Condition_For_Each_Variable
+ ), # b_Variable
+ b_Globale = BLOC( condition = "Applies_To_The_Complete_State_Vector == True ",
+ Initial_Condition = FACT( statut='o',
+ Type_Initials_Conditions = SIMP( statut='o', typ='TXM', into=['Initial distribution of the state vector', 'Initial values of the state vector variables'], position='global'),
+ b_distrib = BLOC( condition = "Type_Initials_Conditions == 'Initial distribution of the state vector'",
+ State_Vector_Initial_Distribution = SIMP( statut='o', typ='TXM', into=['MaxWell', 'Uniform', 'Auto']),
+ Injection_Subdomain = SIMP( statut='f', typ='TXM'),
+ ),# b_distrib
+ b_initials = BLOC( condition = "Type_Initials_Conditions == 'Initial values of the state vector variables'",
+ File_Vecteur_Etat_Initial= SIMP( statut='o', typ=('File','All Files (*)'),),
+ Format_File_Vecteur_Etat_Initial = SIMP( statut='o', typ='TXM', into=['txt', 'a definir avec Eric']),
+ ),# b_initials
+ ),# Initial_Condition_For_Each_Variable
+ ), # b_Globale
+ ), # Initials_Conditions
+) # Study
+
+Run_Option = PROC( nom='Run_Option',
+ MyStudy = SIMP( statut='o', typ=StudySD ),
+ Working_Dir = SIMP( statut='f', typ='TXM'), #
+ Number_Of_Time = SIMP( statut='o', typ='I'),
+ )# Run_Option
+
+
+# a refaire en reprenant
+
+ # # lennard_jones si MD et groot_warren DPD
+ # b_MD = BLOC( condition = 'Numerical_Model == "MD"',
+ # Potential_Type_MD = SIMP( statut='o', typ='TXM', into=['lennard_jones'], defaut='lennard_jones'),
+ # ),
+ # b_DPD = BLOC( condition = 'Numerical_Model == "DPD"',
+ # Potential_Type_DPD = SIMP( statut='o', typ='TXM', into=['groot_warren'], defaut='groot_warren'),
+ # ),
+ # b_DPD_and_MD_2 = BLOC( condition = 'Numerical_Model == "DPD" or Numerical_Model == "MD"' ,
+ # Species_Pair_Parameters = FACT( statut='o', max="**",
+ # Pair_Interaction = SIMP( statut='o', max=2, typ='TXM'),
+ # b_Parameters_Potential_Type_Groot_Warren = BLOC( condition = "Numerical_Model == 'DPD'",
+ # Groot_Warren_Repulsion = SIMP( statut='o', typ='R', defaut=25.0, val_min=0),
+ # Groot_Warren_Cutoff = SIMP( statut='o', typ='R', defaut=1.0, val_min=0),
+ # ), # b_parameters_potential_type_groot_warren
+ # b_Parameters_Potential_Type_Lennard_Jones = BLOC( condition = "Numerical_Model == 'MD'",
+ # Radius = SIMP( statut='o', typ='R', val_min=0),
+ # Depth_Of_The_Potential_Well = SIMP( statut='o', typ='R', val_min=0),
+ # ), # b_parameters_potential_type_groot_warren
+ # ), # species_pair_parameters
+ # ),# fin b_DPD_and_MD_2
+ # b_DPD_Coef = BLOC( condition = 'Numerical_Model == "DPD"' ,
+ # Drag_Coefficient = SIMP( statut='o', typ='R'), # les 2 valent 0 pour MD
+ # Drag_Force_Cutoff = SIMP( statut='o', typ='R', val_min=0,),
+ # ),
+
