ppap4lmp  0.7.2
sta_beads.h
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1 
9 #ifndef STA_BEADS_H
10 #define STA_BEADS_H
11 
12 #include <starters/starter.h>
13 
27 class StaBeads : public Starter {
52  std::pair<bool,bool> check_mol_type_to_abst_beads();
53  protected:
68  virtual void compute_impl(
69  Json &data,
70  JsonToVoidFunc check_required_keys,
71  JsonToBoolFunc check_optional_keys) override;
72  public:
105  StaBeads(
106  const ElPtr &el_mols,
107  const Vec<Json> &scheme);
138  StaBeads(
139  const ElPtr &el_mols,
140  const Map<int,Vec<Json>> &schemes);
141  virtual ~StaBeads() = default;
142 };
143 
144 #endif
ShPtr< Element > ElPtr
An alias for a shared pointer of Element class.
Definition: element.h:378
StaBeads(const ElPtr &el_mols, const Vec< Json > &scheme)
Constructor of StaBeads class for molecules all of whose type property are 1, or molecules all of whi...
Definition: sta_beads.cpp:16
This file has a definition of Starter class, which is a subclass of Updater class.
std::function< bool(const Json &)> JsonToBoolFunc
An alias for a function accepts a Json object and returns a bool.
Definition: updater.h:20
nlohmann::json Json
Json is an alias for nlohmann::json.
Definition: json.h:22
StaBeads sets properties for beads using mapping (coarse-graining) scheme for each molecule...
Definition: sta_beads.h:27
std::vector< T > Vec
Vec is an alias for vector (same as list in Python).
Definition: std.h:27
virtual void compute_impl(Json &data, JsonToVoidFunc check_required_keys, JsonToBoolFunc check_optional_keys) override
This method overrides Updater::compute_impl.
Definition: sta_beads.cpp:105
std::pair< bool, bool > check_mol_type_to_abst_beads()
Definition: sta_beads.cpp:36
Starter sets some properties to an empty Element object.
Definition: starter.h:24
Map< int, Vec< Json > > mol_type_to_abst_beads
Definition: sta_beads.h:41
std::function< void(const Json &)> JsonToVoidFunc
An alias for a function accepts a Json object.
Definition: updater.h:18
std::unordered_map< T, U > Map
Map is an alias for unordered map (same as dict in Python).
Definition: std.h:38