QNANO
Public Member Functions | Static Public Member Functions | List of all members
Atom_List Class Reference
Inheritance diagram for Atom_List:
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Collaboration diagram for Atom_List:
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Public Member Functions

Vec3d bbox_min () const
 
Vec3d bbox_max () const
 
Vec3d bbox_center () const
 
Vec3d bbox_width () const
 
std::pair< Vec3d, Vec3d > bbox () const
 Boundary box.
 
void read (const std::string &filename)
 read atoms from position file
 
void setup (Parameter_Map &param_map, bool *successful=NULL)
 generate or read depending on command line input
 
void print (const std::string &filename, const std::vector< std::string > &materials=std::vector< std::string >()) const
 print position file
 
void generate_from_lattice (const Lattice &lat, int Nx, int Ny, int Nz)
 generate Nx*Ny*Nz unit cells from lattice:
 
void generate_from_material_file (const std::string &res_dir, const std::string &material, int Nx, int Ny, int Nz)
 
void replace_elements (int from, int to)
 
void cut_radius (double radius, const Vec3d &center)
 
void cut_plane (double a, double b, double c, double d, const Vec3d &center)
 
void cut_plane (const std::vector< double > &v, const Vec3d &center)
 
void cut_plane (const Vec3d &v, const Vec3d &center)
 
 Atom_List (const std::string &filename)
 
 Atom_List (Parameter_Map &param_map, bool *successful=NULL)
 
- Public Member Functions inherited from List_Class< Atom >
Atom & operator[] (size_t i)
 
const Atom & operator[] (size_t i) const
 
size_t size () const
 
virtual void resize (size_t i)
 
virtual void reserve (size_t i)
 
virtual void push_back (const Atom &value)
 
virtual void clear ()
 
List_Class< Atom > & operator= (const std::vector< Atom > &Tvec)
 
int find (Atomelement) const
 
int find_check (Atomelement) const
 
void add_if_new (Atomelement)
 
void add_if_new_check (Atomelement)
 

Static Public Member Functions

static std::vector< std::string > get_material_names_from_file (const std::string &filename)
 

Additional Inherited Members

- Public Attributes inherited from List_Class< Atom >
std::vector< Atom > list
 
The documentation for this class was generated from the following files:
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