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/*
A* -------------------------------------------------------------------
B* This file contains source code for the PyMOL computer program
C* Copyright (c) Schrodinger, LLC.
D* -------------------------------------------------------------------
E* It is unlawful to modify or remove this copyright notice.
F* -------------------------------------------------------------------
G* Please see the accompanying LICENSE file for further information.
H* -------------------------------------------------------------------
I* Additional authors of this source file include:
-*
-*
-*
Z* -------------------------------------------------------------------
*/
#ifndef _H_Field
#define _H_Field
#include"os_python.h"
#include"PyMOLGlobals.h"
#include <cassert>
enum cField_t {
cFieldFloat = 0,
cFieldInt = 1,
cFieldOther = 2,
};
/**
* Multi-dimensional data array with runtime typing.
*/
struct CField {
cField_t type;
std::vector<char> data;
std::vector<unsigned int> dim;
std::vector<unsigned int> stride;
unsigned int base_size;
CField() = default;
CField(
PyMOLGlobals* G, const int* const dim, int n_dim, unsigned int base_size, cField_t type);
int n_dim() const noexcept { return dim.size(); }
unsigned int size() const noexcept { return data.size(); }
/**
* Copies data from another vector as stream of bytes
* @param other source typed buffer
*/
template <typename T> void set_data(const std::vector<T>& other)
{
auto nbytes = other.size() * sizeof(T);
data.resize(nbytes);
std::copy_n(
reinterpret_cast<const char*>(other.data()), nbytes, data.begin());
}
protected:
template <typename T> static cField_t _get_type()
{
if (std::is_same<T, float>::value) {
return cFieldFloat;
}
if (std::is_same<T, int>::value) {
return cFieldInt;
}
return cFieldOther;
}
public:
/**
* Returns heap-allocated handle to CField based on stored type
* @param dim dimensions
* @param n_dim number of dimensions
* @return pointer to heap-allocated CField object.
* Note: Lifetime of object (via heap-allocation) must be managed by owner.
*/
template <typename T>
static CField* make(PyMOLGlobals* G, const int* const dim, int n_dim)
{
return new CField(G, dim, n_dim, sizeof(T), _get_type<T>());
}
private:
size_t _data_offset(size_t a, size_t b, size_t c) const
{
return a * stride[0] + b * stride[1] + c * stride[2];
}
size_t _data_offset(size_t a, size_t b, size_t c, size_t d) const
{
return a * stride[0] + b * stride[1] + c * stride[2] + d * stride[3];
}
public:
//! Get a pointer to the value at `pos`
template <typename T, typename... SizeTs> T* ptr(SizeTs... pos)
{
assert(sizeof...(pos) <= n_dim());
return reinterpret_cast<T*>(data.data() + _data_offset(pos...));
}
template <typename T, typename... SizeTs> T const* ptr(SizeTs... pos) const
{
return const_cast<CField*>(this)->ptr<T const>(pos...);
}
//! Get the value at `pos`
template <typename T, typename... SizeTs> T& get(SizeTs... pos)
{
assert(sizeof...(pos) == n_dim());
assert(sizeof(T) == base_size);
return *ptr<T>(pos...);
}
template <typename T, typename... SizeTs> T const& get(SizeTs... pos) const
{
return const_cast<CField*>(this)->get<T const>(pos...);
}
};
/**
* Multi-dimensional data array with compile-time typing.
*/
template <typename T> struct CFieldTyped : CField {
CFieldTyped(const int* const dim, int n_dim)
: CField(nullptr, dim, n_dim, sizeof(T), _get_type<T>())
{
}
template <typename... SizeTs> T* ptr(SizeTs... pos)
{
return CField::ptr<T>(pos...);
}
template <typename... SizeTs> T const* ptr(SizeTs... pos) const
{
return CField::ptr<T>(pos...);
}
template <typename... SizeTs> T& get(SizeTs... pos)
{
return CField::get<T>(pos...);
}
template <typename... SizeTs> T const& get(SizeTs... pos) const
{
return CField::get<T>(pos...);
}
};
/* accessors for getting data from a field */
#define Ffloat3p(f, a, b, c) ((f)->ptr<float>(a, b, c))
#define Ffloat3(f, a, b, c) ((f)->get<float>(a, b, c))
#define Ffloat4p(f, a, b, c, d) ((f)->ptr<float>(a, b, c, d))
#define Ffloat4(f, a, b, c, d) ((f)->get<float>(a, b, c, d))
#define F3 Ffloat3
#define F3Ptr Ffloat3p
#define F4 Ffloat4
#define F4Ptr Ffloat4p
void FieldZero(CField * I);
float FieldInterpolatef(CField * I, int a, int b, int c, float x, float y, float z);
void FieldInterpolate3f(CField * I, int *locus, float *fract, float *result);
PyObject *FieldAsNumPyArray(CField * I, short copy);
PyObject *FieldAsPyList(PyMOLGlobals * G, CField * I);
CField *FieldNewFromPyList(PyMOLGlobals * G, PyObject * list);
CField *FieldNewFromPyList_From_List(PyMOLGlobals * G, PyObject * list, int);
int FieldSmooth3f(CField * I);
#endif
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