ppap4lmp  0.7.2
pro_thickness_profile.h
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1 
9 #ifndef PRO_THICKNESS_PROFILE_H
10 #define PRO_THICKNESS_PROFILE_H
11 
12 #include <processors/processor.h>
13 
32 class ProThicknessProfile : public Processor {
36  int nx = 1;
40  int ny = 1;
51  bool shift_half = false;
56  double offset = 0.0;
63  Vec<Json> conditions;
69  Vec<ArrayXXd> profiles;
70  protected:
77  virtual void run_impl(
78  const int index) override;
79  public:
116  ProThicknessProfile(
117  const ElPtr &atoms,
118  const ElPtr &box);
154  ProThicknessProfile(
155  const Vec<std::pair<ElPtr,ElPtr>> &pairs);
156  virtual ~ProThicknessProfile() = default;
161  virtual void prepare() override;
179  void set_grid(
180  int nx_,
181  int ny_);
194  void set_offset(
195  double offset_);
214  void shift_half_delta(
215  bool shift_half_ = true);
223  const Vec<Json> &get_conditions();
231  const Vec<ArrayXXd> &get_profiles();
232 };
233 
234 #endif
ElPtr
ShPtr< Element > ElPtr
An alias for a shared pointer of Element class.
Definition: element.h:378
ProThicknessProfile::run_impl
virtual void run_impl(const int index) override
Implementation of analysis using an element of generators.
Definition: pro_thickness_profile.cpp:39
ProThicknessProfile::get_profiles
const Vec< ArrayXXd > & get_profiles()
Get a sequence of two-dimensional profile of film thickness as list of two-dimensional arrays...
Definition: pro_thickness_profile.cpp:181
ProThicknessProfile::set_offset
void set_offset(double offset_)
Specify the offset for thickness (height).
Definition: pro_thickness_profile.cpp:158
ProThicknessProfile::get_conditions
const Vec< Json > & get_conditions()
Get computation conditions (origin of computed area, grid width and the number of grads) used by this...
Definition: pro_thickness_profile.cpp:174
ProThicknessProfile::ProThicknessProfile
ProThicknessProfile(const ElPtr &atoms, const ElPtr &box)
Constructor of ProThicknessProfile class for a snapshot of simulation.
Definition: pro_thickness_profile.cpp:13
ProThicknessProfile
ProThicknessProfile computes thickness profile of a film consisting of particles (can be atoms...
Definition: pro_thickness_profile.h:32
Vec
std::vector< T > Vec
Vec is an alias for vector (same as list in Python).
Definition: std.h:27
processor.h
This file has a definition of Processor class, where an analysis process is programmed.
Processor
Processor analyzes data contained in one or more Generator objects.
Definition: processor.h:18
ProThicknessProfile::shift_half_delta
void shift_half_delta(bool shift_half_=true)
Increment coordinates of the grid points by half the grid width. By default, grids in the x direction...
Definition: pro_thickness_profile.cpp:166
ProThicknessProfile::prepare
virtual void prepare() override
Resize conditions and profiles.
Definition: pro_thickness_profile.cpp:140
ProThicknessProfile::set_grid
void set_grid(int nx_, int ny_)
Specify the number of grids in the x and y directions.
Definition: pro_thickness_profile.cpp:148