From 6eefb83cb19e19a83a4df1f126eeca394e1ca622 Mon Sep 17 00:00:00 2001 From: "pascale.noyret" Date: Thu, 22 Oct 2020 17:49:28 +0200 Subject: [PATCH] chgt spatial aspect --- Vimmp/cata_CSAndCPS_v2.py | 593 ++++++++++++++++++++++++++++++++++++++ 1 file changed, 593 insertions(+) create mode 100644 Vimmp/cata_CSAndCPS_v2.py diff --git a/Vimmp/cata_CSAndCPS_v2.py b/Vimmp/cata_CSAndCPS_v2.py new file mode 100644 index 00000000..cbd72e3e --- /dev/null +++ b/Vimmp/cata_CSAndCPS_v2.py @@ -0,0 +1,593 @@ +from Accas import * + +class composant(ASSD):pass +class modeleNumDuCompo(UserASSD):pass +class especeChimique(UserASSD):pass +class userParticle(UserASSD) :pass +class userAtom(userParticle) :pass +class userMolecule(userParticle) :pass +class userDiscrete(userParticle) :pass +class userDPD(userParticle) :pass + +class spatialRegion(UserASSD):pass +class cadShape(spatialRegion):pass +class meshGroup(spatialRegion):pass +class meshIdentifier(spatialRegion):pass + +dictSystemTypeModeleNumerique = { 'Quantum system' : (), + 'Classical particle system' : ('MD', 'DPD', 'LBM', 'SDPD','SPH','CFD_Discrete_Particles'), + 'Continuum system' :('Fluid_Fields','Fluid_Particles', 'SPH','Lagrangian one-particle pdf'), + } + +# PN a faire --> ajouter un MC modeleNumerique ( apres avoir renomme le modeleNumerique actuel en classe de modele numerique) et le dictionnaire d apres +dictTypModNumModNum = { + ('Continuum system','Particles') : ('SPH','Lagrangian one-fluid-particle pdf'), + ('Continuum system','Fields') : ('FV','FEM', 'Spectral method'), + ('Classical particle system','Particles') : ('MD', 'DPD', 'SDPD','SPH','CFD_Discrete_Particles'), + ('Classical particle system','Fields') : ('LBM',), + ('Quantum system','Particles') : ('Particle method',), + ('Quantum system','Fields') : ('Wave',), +} + +dictCodeModeleNumerique = { + + 'Code_Saturne' : ('Lagrangian one-fluid-particle pdf', 'FV', 'CFD_Discrete_Particles',), + 'Fluent' : ('FV',), + 'Culgi Package': (), + 'DEM_SD' : ('Lagrangian one-fluid-particle pdf', 'FV', 'CFD_Discrete_Particles',), + 'DFTB+' : ('density functional tight binding method',), + 'DL_MESO_DPD' : ('Lagrangian one-fluid-particle pdf', 'FV', 'CFD_Discrete_Particles',), + 'DL_MESO_LBE' : ('Lagrangian one-fluid-particle pdf', 'FV', 'CFD_Discrete_Particles',), + 'DL_POLY_4' : ('Lagrangian one-fluid-particle pdf', 'FV', 'CFD_Discrete_Particles',), + 'GROMACS' : ('Lagrangian one-fluid-particle pdf', 'FV', 'CFD_Discrete_Particles',), + 'GROMACS_LS' : ('Lagrangian one-fluid-particle pdf', 'FV', 'CFD_Discrete_Particles',), + 'LAMMPS' : ('Lagrangian one-fluid-particle pdf', 'FV', 'CFD_Discrete_Particles',), + 'NWChem' : ('Lagrangian one-fluid-particle pdf', 'FV', 'CFD_Discrete_Particles',), + 'OpenFOAM' : ('Lagrangian one-fluid-particle pdf', 'FV', 'CFD_Discrete_Particles',), + 'Quantum EXPRESSO' : ('Particle method', 'Wave',), + 'RHEO_AGGRATE' : ('Particle method', 'Wave',), + 'RHEO_DROP' : ('Particle method', 'Wave',), + 'STAR_CCM+' : ('FV', 'Particles',), + 'Code Nill' : ('Spectral method', ), +} + +dictCodeFormat = { + 'Code_Saturne' : ('med', 'cgns', 'msh', 'des', 'unv ', 'Use converter'), + 'Culgi Package': ('cof',), + 'DEM_SD' : ('geo', 'ascii'), + 'DFTB+' : ('geo', 'ascii'), + 'Fluent' : ('FluentFormat', 'Use converter'), + 'OpenFOAM' : ('OpenFoamFormat', 'Med', 'Use converter'), +} + +dictTermeLE = { + ('Fields','Particles') : ('Fluid_Velocity_Field', + 'Fluid_Temperature_Field', + 'Fluid_Species_Mass_Fraction_Fluid',), + ('Particles','Fields') : ('Fluid_Particle_Momentum_Exchange_Field', + 'Fluid_Particle_Thermal_Exchange_Field', + 'Lagrangian one-particle pdfFluid_Particle_Mass_Source_Field', + 'Particle_Volumetric_Concentration_Modified_Fluid_Viscosity', + 'Particle_Extra_Stress_Tensor'), +} + +dictCodeConvertisseur = { + ('Saturne', 'OpenFOAM') : ('gmsh', 'Saturne2CDM and CDM2OpenFoam'), + ('Saturne', 'Fluent') : ( 'Saturne2CDM and CDM2Fluent'), + ('Fluent', 'OpenFOAM') : ('Fluent2CDM and CDM2OpenFoam'), + } + +def prepareBlocSystemType(systemType) : + condition = "SystemType == '" + systemType + "'" + Identifier = SIMP(statut='o', typ=(modeleNumDuCompo,'createObject'),) + ModelType = SIMP(statut='o', typ='TXM', into = ('Particles', 'Fields'),position='globale') + dicoArgs={} + for typeMod in ('Particles', 'Fields'): + conditionType = "ModelType == '" + typeMod + "'" + NumericalMethod = SIMP(statut='o',typ='TXM', into=dictTypModNumModNum[systemType, typeMod], + position='global_jdc', intoXML=allValueInDict(dictTypModNumModNum)) + bloc_meshRef = BLOC(condition = 'ModelType == "Fields" and NumericalMethod == "FV"', + Mesh_Identifiers = SIMP (statut ='o', max ='**', typ = meshIdentifier), + ) + dicoBloc = {} + for modeleNumerique in list(dictTypModNumModNum[systemType,typeMod]): + conditionNum = "NumericalMethod == '" + modeleNumerique + "'" + setCode = set() + for code in dictCodeModeleNumerique.keys(): + if modeleNumerique in dictCodeModeleNumerique[code]: setCode.add(code) + Solver = SIMP(statut='o', typ='TXM', into=list(setCode), intoXML=list(dictCodeModeleNumerique.keys()) ) + monNomBloc='b_ModelName_' + modeleNumerique.replace(' ','_') + if setCode !=set(): dicoBloc[monNomBloc]=BLOC(condition=conditionNum, nomXML='b_ModelName',Solver=Solver) + dicoArgs['b_modelType'+typeMod] = BLOC(condition=conditionType, NumericalMethod=NumericalMethod,**dicoBloc) + NumericalModel = FACT(statut='o', max= '**', Identifier=Identifier, ModelType=ModelType,bloc_meshRef=bloc_meshRef, **dicoArgs) + return BLOC(condition=condition, nomXML='b_systemType', NumericalModel=NumericalModel) + +def calculCommun( key1, key2, dico): + monSet=set() + if not key1 in dico: return () + if not key2 in dico: return () + for val in dico[key1]: + if val in dico[key2]: + monSet.add(val) + if monSet == set() : monSet.add ('No common format') + return list(monSet) + +def allValueInDict( dico): + monSet=set() + for clef in dico : + for val in dico[clef] : monSet.add(val) + return monSet + +def creeBlocPourLesFichiers (laCondition, NomDuFichier, ListeFormats): + SIMPFormatFichier = SIMP(statut='o', typ = 'TXM', into = tuple(ListeFormats) + ('others',), ) + dicoDesBlocs = {} + for formatFich in ListeFormats : + nomBloc = 'b_format_fichier' + str(formatFich) + typeDesFichiers = ('Fichier', formatFich + " Files (*." + formatFich + ");;All Files (*)",) + blocCondition ="FileFormat == '" + formatFich + "'" + dicoDesBlocs[nomBloc] = BLOC( condition = blocCondition, FileName = SIMP(statut='o', typ = typeDesFichiers ),) + dicoDesBlocs['b_format_fichier_others'] = BLOC(condition="FileFormat == 'others'", FileName = SIMP(statut='o', typ = ('Fichier','All Files (*)'),),) + return BLOC(condition=laCondition, FileFormat = SIMPFormatFichier, **dicoDesBlocs) + +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(condition = 'Format == "txt"', + File = SIMP( statut='o', typ=('Fichier','Text Files(*.txt);All Files (*)'),), + ), + td_med_1 = BLOC( condition = 'Format == "Med"', + File = SIMP( statut='o', typ=('Fichier','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 FactTurbulence(statut): + return FACT (statut=statut, + TurbulenceModellingType = SIMP(typ='TXM', statut='o', into =['No Model (DNS)', + 'Spatial filtering (LES)', 'One-point moment', 'One-point PDF']) , + bloc_one_point = BLOC(condition= "TurbulenceModellingType == 'One-point moment'", + RANSModel = SIMP(statut="o", typ="TXM", into=['Turbulent-Viscosity Model(TVM)', 'Reynolds Stress Model (RSM)']), + bloc_TVM = BLOC(condition= "RANSModel == 'Turbulent-Viscosity Model(TVM)'", + TVMChoice = SIMP(typ='TXM', statut='o', into=['k-epsilon', 'k-omega']), + ), # fin bloc_TVM + bloc_RSM = BLOC(condition = "RANSModel == 'Reynolds Stress Model (RSM)'", + RSMChoice = SIMP(typ='TXM', statut='o', into=['Rotta', 'LRR-IP','LRR-QI','SSG']), + ), # fin bloc_RSM + ), # fin bloc_one_point + bloc_one_spatial = BLOC(condition = "TurbulenceModellingType == 'Spatial filtering (LES)'", + ChoiceOfApproach = SIMP(typ='TXM', statut='o', into=['Field-based LES', 'Filtered Density Function (FDF)']), + SubgridScaleModel = SIMP(typ='TXM', statut='o', into=['No SGS', 'Smagorinsky','Dynamical model', 'SGS Transport Equations']), + ), # fin bloc_one_spatial + bloc_one_point_pdf = BLOC(condition = "TurbulenceModellingType == 'One-point PDF'", + ChoiceOfApproach = SIMP(typ='TXM', statut='o', into=['One-point Eulerian PDF', 'One-particle Lagrangian PDF']), + bloc_lagrangian_pdf=BLOC(condition = "ChoiceOfApproach == 'One-particle Lagrangian PDF'", + StochasticModel = SIMP(typ='TXM', statut='o', into=['Langevin','Other'], defaut='Langevin'), + )# fin lagrangian + ), # fin bloc_one_point_pdf + bloc_no_model = BLOC(condition = "TurbulenceModellingType == 'No Model (DNS)'", + ChoiceOfApproach = SIMP(statut='o', typ='TXM', into=['Field-based DNS', 'N-Particle Method']), + bloc_Field = BLOC(condition = "ChoiceOfApproach == 'Field-based DNS'", + NumericalMethod=SIMP(statut='o', typ='TXM', into=['FV', 'Spectral Method']), + ),# fin bloc_Field + bloc_N_particle = BLOC(condition = "ChoiceOfApproach == 'N-Particle Method'", + NumericalMethod=SIMP(statut='o', typ='TXM', into=['SPH', 'Vortex Method']), + ),# fin bloc_N_particle + ), # fin bloc_no_model +)# fin du bloc return de la fonction factTurbulence + +def Particle(cardinalite) : + return FACT (statut='o', max=cardinalite, + ParticleNature = SIMP( statut='o', typ='TXM', into=['Atoms', 'Molecules', 'Dissipative', 'Fluid Particle', 'Discrete Particle']), + b_Atom = BLOC( condition='ParticleNature == "Atoms"', + AtomsName = SIMP( statut='o', typ=(userAtom,'createObject'),), + Atom = FACT (statut ='o', max= '**', + ChemicalSpecie = SIMP( statut='o', typ='TXM'), + Number = SIMP (statut ='o', typ = 'I'), + ElectricCharge = SIMP( statut='o', typ='R'), + MagneticMoment = SIMP( statut='o', typ='R'), + Size = SIMP( statut='f', typ='R'), # relevant ? + ), + ), + b_Molecule = BLOC( condition='ParticleNature == "Molecules"', + MoleculeName = SIMP( statut='o', typ=(userMolecule,'createObject'),), + ChemicalSpecie = FACT ( max='**', statut='o', + ChemicalSpecieName = SIMP( statut='o', typ=userAtom), + Proportion = SIMP( statut='o', typ='R', val_max =1), + ), + ElectricCharge = SIMP( statut='o', typ='R'), + MagneticMoment = SIMP( statut='o', typ='R'), + Shape = SIMP( statut='f', typ='TXM', into=['Linear', 'Trigonal Planar', 'Angular', 'Tetrahedral', 'Octahedral', 'Trigonal pyramid', 'Other']), + ), + b_Dissipative = BLOC( condition='ParticleNature == "Dissipative"', + DPDName = SIMP( statut='o', typ=(userDPD,'createObject'),), + BondedParticles = SIMP(statut="o", typ=bool, defaut=False), + ), + b_Discrete = BLOC( condition='ParticleNature == "Discrete Particle"', + DiscreteParticleName = SIMP(statut='o', typ=(userDiscrete,'createObject'),), + TypeOfDiscreteParticle = SIMP( statut='o', typ='TXM', into=['Solid', 'Droplets', 'Bubbles','Bio Organism'],), + b_TypeDP_Solid = BLOC( condition ='TypeOfDiscreteParticle == "Solid"', + TypeOfSolid = SIMP( statut='o', typ='TXM', into=['Primary Particle', 'Assemblage / Aggregate'], position = 'global'), + b_SolidPrimary = BLOC( condition='TypeOfSolid == "Primary Particle"', + ), + b_SolidAggregate = BLOC( condition='TypeOfSolid == "Assemblage / Aggregate"', + ), + ), + b_TypeBio_Solid = BLOC( condition='TypeOfDiscreteParticle == "Bio Organism"', + TypeOfOrganism = SIMP( statut='o', typ='TXM', into=['Unicellular', 'Multicellular']), + b_Unicellular = BLOC( condition ='TypeOfOrganism=="Unicellular"', + Unicellular = SIMP( statut='o', typ='TXM', into=["Bactaria"], defaut='Bactaria') + ), + b_Multicellular = BLOC( condition ='TypeOfOrganism=="Multicellular"', + Multicellular = SIMP( statut='o', typ='TXM', into=["Animal","Fongus","Plant"]) + ), + ), # b_TypeBio_Solid + Properties = FACT ( statut ='o', + Geometry = SIMP( statut='o', typ='TXM', into=['Sphere', 'Ellopsoids', 'Other Shape']), + b_geom_Sphere = BLOC( condition = 'Geometry == "Sphere"', + ParticleRadius = SIMP( statut='o', typ ='R', val_min = 0), + ), + Weight = FACT (statut = 'o', + Mass = SIMP( statut='o', typ ='R', val_min = 0), + Density = SIMP( statut='o', typ ='R', val_min = 0), + ), + Mechanical = SIMP( statut='o', typ='TXM', into=['Rigid', 'Flexible', 'Deformable']), + b_SolidAggregate = BLOC( condition='TypeOfSolid == "Assemblage / Aggregate"', + Morphological = FACT (statut = 'o', + Consigne = SIMP(statut="o", homo="information", typ="TXM", defaut='Choose optional properties'), + FractalDimension = SIMP( statut='f', typ='R'), + NumberOfPrimaryParticle = SIMP (statut ='f',typ='I'), + EquivalentSize = SIMP( statut='f', typ='R'), + Porosoty = SIMP( statut='f', typ='R'), + ), # Morphological + ), # b_SolidAggregate + ElectroMagnetic = FACT (statut = 'f', + ElectricCharge = SIMP( statut='o', typ='R'), + MagneticMoment = SIMP( statut='o', typ='R'), + ), + b_SolidAggregateBonded = BLOC( condition='TypeOfSolid == "Assemblage / Aggregate"', + BondedParticles = FACT( + ListOfBondedParticles = SIMP(statut='o', max='**', typ = userParticle), + ), + ), + ), # Properties + ), # b_Discrete +############################ + + List_Of_Bonded_Particles = FACT( statut='f', + # -------------------------------------------# + Bonded_Particles = FACT( statut='o', max = "**", + Name_Of_Bonded_Particles = SIMP( statut='o', typ='TXM'), + Species_in_Particle = SIMP( statut='o', min=2, typ='TXM' , 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'), + 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")', + # ), # fin bloc_covalent_1 + 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='TXM'), + 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='TXM'), + 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='TXM'), + # 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', + 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 ("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', max= "**", + + 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_jdc'), + 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"', + Species_Pair_Parameters = FACT( statut='o', max="**", + Type_Repulsion_and_VdW = SIMP( statut='o', typ='TXM', into = [ 'Lennard_Jones', 'Hard_sphere_model']), + Species_Pair = SIMP( statut='o', max=2, typ='TXM'), + VdW_Radius = SIMP( statut='o', typ='R', val_min=0), + b_Lennard = BLOC( condition = "Type_Repulsion_and_VdW == 'Lennard_Jones'", + Depth_Of_The_Potential_Well = SIMP( statut='o', typ='R', val_min=0), + ), # fin b_Lennard + ), # fin Species_Pair_Parameters + ), # bloc_VdW + + 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 + + ), # fin UnBonded_Interactions + + # ------------------------------- # + + External_Field_Interaction = FACT( statut='o', max= "**", + Type_Of_Interaction_With_An_External_Field = SIMP( statut='o', typ='TXM', into=['No','gravitational field','electric field','magnetic field', 'Hydrodynamic_Field'], fenetreIhm='menuDeroulant', defaut ='No'), + 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), + ), + b_External_Field_Interaction = BLOC( condition = 'Type_Of_Interaction_With_An_External_Field != "No"', + 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 b_External_Field_Interaction + ), # fin Interaction_External_Field + + ), # fin List_Of_Interactions + +############################ + ) + +def bloc_CPS(): + return BLOC(condition = 'SystemType == "Classical particle system"', + Particle = Particle('**'), +) + +def bloc_FluideMacro(): + return BLOC(condition = 'SystemType == "Continuum system"', + FluidComplexe = SIMP(typ=bool, statut='o', defaut = False,), + + FlowNature = SIMP(typ='TXM', statut='o', into =['Laminar', 'Turbulent'], position='global'), + bloc_FlowNature_Turbulent = BLOC(condition = ' FlowNature == "Turbulent"', + TurbulenceForFlowDynamics = FactTurbulence('o'), + ), #------ fin bloc_FlowNature_Turbulent + + +# ---------------------- Effets thermiques + + Thermal = FACT (statut ='o', + ThermalEffects = SIMP(typ='TXM', statut='o', into =['Non thermal', + 'No effect on flow dynamics', 'Effect on flow dynamics'], defaut='Non thermal'), + + bloc_NonThermalEffects = BLOC(condition = ' ThermalEffects == "Non thermal" or ThermalEffects == "No effect on flow dynamics"', + DensityEquationOfState = SIMP(typ='TXM', statut='o', into =['Constant density'], defaut = 'Constant density'), + ), # fin bloc_NonThermalEffects + + bloc_ThermalEffects_Active = BLOC(condition = ' ThermalEffects == "Effect on flow dynamics"', + DensityEquationOfState = SIMP(typ='TXM', statut='o', into =['Variable density', 'Compressible']), +# PNJPM est ce suffisant ? + ), # fin bloc_ThermalEffects_Active + bloc_ThermalEffects = BLOC(condition = ' ThermalEffects == "Effect on flow dynamics" or ThermalEffects == "No effect on flow dynamics"', + bloc_scalar_thermal_flux = BLOC (condition = "FlowNature == 'Turbulent'", + ThermalFluxModel = FactTurbulence('f'), + ),# fin bloc_scalar_thermal_flux + WithChemicalReactions = SIMP(typ=bool, statut ='o', defaut = False), + ), # fin bloc_ThermalEffects + ),# fin Fact Thermal + +# ---------------------- Scalaire additional + bloc_scalar_FluidTurbulentOrLaminar = BLOC(condition = "(FluidComplexe == False and FlowNature == 'Turbulent') or (FluidComplexe == False and FlowNature == 'Laminar')", + AdditionalScalars = FACT(statut = 'f', + Scalar = FACT(statut = 'o', max ='**', + Name = SIMP(typ='TXM', statut='o',), + bloc_scalar_FluidTurbulentandNonComplexe = BLOC (condition = "FlowNature == 'Turbulent'", + ScalarFluxModel = FactTurbulence('f'), + ) # bloc_scalar_FluidTurbulentandNonComplexe + ),# Scalar + ),# AdditionalScalars + ), # fin FluidTurbulentandNonComplexe + #bloc_scalar_FluidLaminaireandNonComplexe = BLOC (condition = "FluidComplexe == False and FlowNature == 'Laminar'", + # AdditionalScalars = FACT (statut = 'o', + # Scalar = FACT ( statut = 'f', max ='**', + # Name = SIMP(typ='TXM', statut='o',), + # ),# Scalar + # ),# AdditionalScalars + #), # fin FluidLaminaireandNonComplexe + bloc_FlowNature_Turbulent_For_Scalars = BLOC(condition = ' FlowNature == "Turbulent"', + ScalarTurbulenceModelling = FactTurbulence('f'), + ), + # il faut une validation de coherence entre l existence de tous les turbulencesModelling + )# fin bloc_FluideMacro + +JdC = JDC_CATA ( + code = 'Vimmp', + # faire un validateur qui verifie que si on active reactions chimiques il faut que les masses molaires soient rentrees +) + +Component = OPER(nom='Component', sd_prod=composant, + SystemType = SIMP(typ='TXM', into=['Quantum system', 'Classical particle system', 'Continuum system'], statut='o',position='global'), + PhysicalDescription = FACT(statut = 'o', + b_FluideMacro = bloc_FluideMacro(), + b_bloc_CPS = bloc_CPS(), + ), + b_ModeleNumerique_quantum = prepareBlocSystemType('Quantum system'), + b_ModeleNumerique_classical = prepareBlocSystemType('Classical particle system'), + b_ModeleNumerique_continuum = prepareBlocSystemType('Continuum system'), +) + +Species = PROC(nom='Species', + Specie = FACT( statut='o', max ="**", + Name = SIMP( statut='o', typ=(especeChimique,'createObject') ), + masse_molaire = SIMP( statut='f', typ='R',), + ) +) + +Interactions = PROC(nom='Interactions', + InteractionComposant = FACT( max = '**', + origine = SIMP(typ=modeleNumDuCompo, statut='o'), + destination = SIMP(typ=modeleNumDuCompo, statut='o'), +# PN a derouler avec une fonction + monBloc_FFDP = BLOC ( + condition = 'getEficasAttribut(origine,"ModelType") == "Fields" and getEficasAttribut(destination,"ModelType") == "Particles"' , + termeLE = SIMP(typ='TXM', statut='o', into = dictTermeLE['Fields','Particles'],fenetreIhm='menuDeroulant'), + ), + monBloc_DPFF = BLOC ( + condition = 'getEficasAttribut(origine,"ModelType") == "Particles" and getEficasAttribut(destination,"ModelType") == "Fields"' , + termeLE = SIMP(typ='TXM', statut='o', into = dictTermeLE['Particles','Fields'],fenetreIhm='menuDeroulant'), + ), + monBloc_Saturne_Fluent = BLOC ( + condition = 'getEficasAttribut(origine,"Solver") == "Code_Saturne" and getEficasAttribut(destination,"Solver") == "Fluent"' , + Format = SIMP(typ='TXM', statut='o', into = calculCommun( "Code_Saturne", "Fluent",dictCodeFormat) ), + ), + monBloc_Saturne_OpenFoam = BLOC ( + condition = 'getEficasAttribut(origine,"Solver") == "Code_Saturne" and getEficasAttribut(destination,"Solver") == "OpenFOAM"' , + Format = SIMP(typ='TXM', statut='o', into = calculCommun( "Code_Saturne", "OpenFOAM",dictCodeFormat) ), + monBloc_conversion = BLOC (condition = 'Format == "Use converter"', + converter = SIMP(typ='TXM', statut='o', into = dictCodeConvertisseur['Saturne', 'OpenFOAM']), + ), + ), + ), +) + +dict_condition={'NumericalMethod' : ('Interactions', 'Component'), +# 'TypeOfSolid' : ('Component',) +} + +Simulated_Time_Lapse = PROC( nom ="Simulated_Time_Lapse", + Initial_Time = SIMP( statut='o', typ='R'), + Duration = SIMP( statut='o', typ='R'), +) +# +#Spatial_Aspects= OPER( nom='Spatial_Aspects', sd_prod=geometricDomain, +Spatial_Aspects = PROC( nom='Spatial_Aspects', + System_Geometry = FACT ( statut='f', + Shape = FACT (statut ='f', max='**', + Shape_Nature = SIMP( statut='o', typ='TXM', into=['Typical Geometry', 'CAD']), + b_Shape = BLOC( condition = 'Shape_Nature == "Typical Geometry"', + 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'),),) + Size_Of_Bounding_Box = SIMP( statut='o', typ='R', max=3, min=3, ), + ), # fin b_Cube + b_Boule = BLOC( condition = 'Box == "Sphere"', + Center = SIMP( statut='o', typ='R', max=3, min =3), + ),# 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 = creeBlocPourLesFichiers( "Shape_Nature == 'CAD'",'Domain_File', ['txt','I-deas', 'Gmsh', 'top',]), + ShapeIdentifier=SIMP( statut='o', typ=(cadShape,'createObject'),max='**',), + ), + ),# System_Geometry + Spatial_Discretization = FACT ( statut='f', + Mesh_Name = SIMP( statut='o', typ=(meshIdentifier,'createObject')), + b_Mesh = creeBlocPourLesFichiers( "1 == 1",'Domain_File', ['med', 'Gmsh',]), + GroupIdentifier = SIMP( statut='o', typ=(meshGroup,'createObject'),max='**',), + ), + Boundary_Constraints = FACT (statut = 'f', + Motion = FACT ( statut='f', + Motion_Nature = SIMP(statut='o', typ='TXM', into=['Fixed boudary', 'Translational motion', 'Rotational motion', 'Scaling']), + b_Translational_motion=BLOC(condition = 'Motion_Nature == "Translational motion"', + Translation_Velocity=SIMP( statut='o', typ='R'), + boundaries=SIMP( statut='o', typ=spatialRegion,max='**' ), + ), + b_Rotational_motion=BLOC(condition = 'Motion_Nature == "Rotational motion"', + Rotation_Rate=SIMP( statut='o', typ='R'), + boundaries=SIMP( statut='o', typ=spatialRegion,max='**' ), + ), + b_fixed=BLOC(condition = 'Motion_Nature == "Fixed boudary"', + #boundaries=SIMP( statut='o', typ=spatialRegion,max='**', homo='SansOrdreNiDoublon'), + boundaries=SIMP( statut='o', typ=spatialRegion,max='**' ), + ), + ), +#PN decrire page 28 + Mapping = FACT ( statut='f', + ), + ), +) # fin Geometric_Domain + + + + -- 2.39.2