/****************************************************************************** * * Copyright (C) 2021 by * The Salk Institute for Biological Studies * * Use of this source code is governed by an MIT-style * license that can be found in the LICENSE file or at * https://opensource.org/licenses/MIT. * ******************************************************************************/ #ifndef API_GEN_SPECIES_H #define API_GEN_SPECIES_H #include "api/api_common.h" #include "api/complex.h" namespace MCell { namespace API { class Complex; class ElementaryMolecule; class Species; class PythonExportContext; #define SPECIES_CTOR() \ Species( \ const std::string& name_ = STR_UNSET, \ const double diffusion_constant_2d_ = FLT_UNSET, \ const double diffusion_constant_3d_ = FLT_UNSET, \ const double custom_time_step_ = FLT_UNSET, \ const double custom_space_step_ = FLT_UNSET, \ const bool target_only_ = false, \ const std::vector> elementary_molecules_ = std::vector>(), \ const Orientation orientation_ = Orientation::DEFAULT, \ const std::string& compartment_name_ = STR_UNSET \ ) : GenSpecies(name_,elementary_molecules_,orientation_,compartment_name_) { \ class_name = "Species"; \ name = name_; \ diffusion_constant_2d = diffusion_constant_2d_; \ diffusion_constant_3d = diffusion_constant_3d_; \ custom_time_step = custom_time_step_; \ custom_space_step = custom_space_step_; \ target_only = target_only_; \ elementary_molecules = elementary_molecules_; \ orientation = orientation_; \ compartment_name = compartment_name_; \ postprocess_in_ctor(); \ check_semantics(); \ } \ Species(DefaultCtorArgType) : \ GenSpecies(DefaultCtorArgType()) { \ set_all_attributes_as_default_or_unset(); \ set_all_custom_attributes_to_default(); \ } class GenSpecies: public Complex { public: GenSpecies( const std::string& name_ = STR_UNSET, const std::vector> elementary_molecules_ = std::vector>(), const Orientation orientation_ = Orientation::DEFAULT, const std::string& compartment_name_ = STR_UNSET ) : Complex(name_,elementary_molecules_,orientation_,compartment_name_) { } GenSpecies(DefaultCtorArgType) { } void postprocess_in_ctor() override {} void check_semantics() const override; void set_initialized() override; void set_all_attributes_as_default_or_unset() override; std::shared_ptr copy_species() const; std::shared_ptr deepcopy_species(py::dict = py::dict()) const; virtual bool __eq__(const Species& other) const; virtual bool eq_nonarray_attributes(const Species& other, const bool ignore_name = false) const; bool operator == (const Species& other) const { return __eq__(other);} bool operator != (const Species& other) const { return !__eq__(other);} std::string to_str(const bool all_details=false, const std::string ind="") const override; virtual std::string export_to_python(std::ostream& out, PythonExportContext& ctx); virtual std::string export_vec_elementary_molecules(std::ostream& out, PythonExportContext& ctx, const std::string& parent_name); // --- attributes --- double diffusion_constant_2d; virtual void set_diffusion_constant_2d(const double new_diffusion_constant_2d_) { if (initialized) { throw RuntimeError("Value 'diffusion_constant_2d' of object with name " + name + " (class " + class_name + ") " "cannot be set after model was initialized."); } cached_data_are_uptodate = false; diffusion_constant_2d = new_diffusion_constant_2d_; } virtual double get_diffusion_constant_2d() const { cached_data_are_uptodate = false; // arrays and other data can be modified through getters return diffusion_constant_2d; } double diffusion_constant_3d; virtual void set_diffusion_constant_3d(const double new_diffusion_constant_3d_) { if (initialized) { throw RuntimeError("Value 'diffusion_constant_3d' of object with name " + name + " (class " + class_name + ") " "cannot be set after model was initialized."); } cached_data_are_uptodate = false; diffusion_constant_3d = new_diffusion_constant_3d_; } virtual double get_diffusion_constant_3d() const { cached_data_are_uptodate = false; // arrays and other data can be modified through getters return diffusion_constant_3d; } double custom_time_step; virtual void set_custom_time_step(const double new_custom_time_step_) { if (initialized) { throw RuntimeError("Value 'custom_time_step' of object with name " + name + " (class " + class_name + ") " "cannot be set after model was initialized."); } cached_data_are_uptodate = false; custom_time_step = new_custom_time_step_; } virtual double get_custom_time_step() const { cached_data_are_uptodate = false; // arrays and other data can be modified through getters return custom_time_step; } double custom_space_step; virtual void set_custom_space_step(const double new_custom_space_step_) { if (initialized) { throw RuntimeError("Value 'custom_space_step' of object with name " + name + " (class " + class_name + ") " "cannot be set after model was initialized."); } cached_data_are_uptodate = false; custom_space_step = new_custom_space_step_; } virtual double get_custom_space_step() const { cached_data_are_uptodate = false; // arrays and other data can be modified through getters return custom_space_step; } bool target_only; virtual void set_target_only(const bool new_target_only_) { if (initialized) { throw RuntimeError("Value 'target_only' of object with name " + name + " (class " + class_name + ") " "cannot be set after model was initialized."); } cached_data_are_uptodate = false; target_only = new_target_only_; } virtual bool get_target_only() const { cached_data_are_uptodate = false; // arrays and other data can be modified through getters return target_only; } // --- methods --- virtual std::shared_ptr inst(const Orientation orientation = Orientation::DEFAULT, const std::string& compartment_name = STR_UNSET) = 0; }; // GenSpecies class Species; py::class_ define_pybinding_Species(py::module& m); } // namespace API } // namespace MCell #endif // API_GEN_SPECIES_H