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aare/include/aare/NDArray.hpp
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CI/CD: Integrate pre-commit hooks and GitHub Actions workflow (#303)
To improve codebase quality and reduce human error, this PR introduces
the pre-commit framework. This ensures that all code adheres to project
standards before it is even committed, maintaining a consistent style
and catching common mistakes early.

Key Changes:

- Code Formatting: Automated C++ formatting using clang-format (based on
the project's .clang-format file).
- Syntax Validation: Basic checks for file integrity and syntax.
- Spell Check: Automated scanning for typos in source code and comments.
- CMake Formatting: Standardization of CMakeLists.txt and .cmake
configuration files.
- GitHub Workflow: Added a CI action that validates every Pull Request
against the pre-commit configuration to ensure compliance.

The configuration includes a [ci] block to handle automated fixes within
the PR. Currently, this is disabled. If we want the CI to automatically
commit formatting fixes back to the PR branch, this can be toggled to
true in .pre-commit-config.yaml.

```yaml
ci:
  autofix_commit_msg: [pre-commit] auto fixes from pre-commit hooks
  autofix_prs: false
  autoupdate_schedule: monthly
```

The last large commit with the fit functions, for example, was not
formatted according to the clang-format rules. This PR would allow to
avoid similar mistakes in the future.

Python fomat with `ruff` for tests and sanitiser for `.ipynb` notebooks
can be added as well.
2026-04-14 11:52:23 +02:00

602 lines
18 KiB
C++

// SPDX-License-Identifier: MPL-2.0
//
// Container holding image data, or a time series of image data in contigious
// memory. Used for all data processing in Aare.
//
#pragma once
#include "aare/ArrayExpr.hpp"
#include "aare/NDView.hpp"
#include <algorithm>
#include <array>
#include <cmath>
#include <fmt/format.h>
#include <fstream>
#include <iomanip>
#include <iostream>
#include <numeric>
namespace aare {
template <typename T, ssize_t Ndim = 2>
class NDArray : public ArrayExpr<NDArray<T, Ndim>, Ndim> {
std::array<ssize_t, Ndim> shape_;
std::array<ssize_t, Ndim> strides_;
size_t size_{}; // TODO! do we need to store size when we have shape?
T *data_;
public:
///////////////////////////////////////////////////////////////////////////////
// Constructors
//
///////////////////////////////////////////////////////////////////////////////
/**
* @brief Default constructor. Constructs an empty NDArray.
*
*/
NDArray() : shape_(), strides_(c_strides<Ndim>(shape_)), data_(nullptr) {};
/**
* @brief Construct a new NDArray object with a given shape.
* @note The data is uninitialized.
*
* @param shape shape of the new NDArray
*/
explicit NDArray(std::array<ssize_t, Ndim> shape)
: shape_(shape), strides_(c_strides<Ndim>(shape_)),
size_(num_elements(shape_)), data_(new T[size_]) {}
/**
* @brief Construct a new NDArray object with a shape and value.
*
* @param shape shape of the new array
* @param value value to initialize the array with
*/
NDArray(std::array<ssize_t, Ndim> shape, T value) : NDArray(shape) {
this->operator=(value);
}
// Allow NDArray of different type and dimension to be friend classes
// This is needed for the move constructor from NDArray<T,Ndim+1>
template <typename U, ssize_t Dim> friend class NDArray;
/**
* @brief Construct a new NDArray object from a NDView.
* @note The data is copied from the view to the NDArray.
*
* @param v view of data to initialize the NDArray with
*/
explicit NDArray(const NDView<T, Ndim> v) : NDArray(v.shape()) {
std::copy(v.begin(), v.end(), begin());
}
/**
* @brief Construct a new NDArray object from an std::array.
*/
template <size_t Size>
NDArray(const std::array<T, Size> &arr) : NDArray<T, 1>({Size}) {
std::copy(arr.begin(), arr.end(), begin());
}
/**
* @brief Move construct a new NDArray object. Cheap since it just
* reassigns the pointer and copy size/strides.
*
* @param other
*/
NDArray(NDArray &&other) noexcept
: shape_(other.shape_), strides_(c_strides<Ndim>(shape_)),
size_(other.size_), data_(other.data_) {
other.reset(); // Needed to avoid double free
}
/**
* @brief Move construct a new NDArray object from an array with Ndim + 1.
* Can be used to drop a dimension cheaply.
* @param other
*/
template <ssize_t M, typename = std::enable_if_t<(M == Ndim + 1)>>
NDArray(NDArray<T, M> &&other)
: shape_(drop_first_dim(other.shape())),
strides_(c_strides<Ndim>(shape_)), size_(num_elements(shape_)),
data_(other.data()) {
// For now only allow move if the size matches, to avoid unreachable
// data if the use case arises we can remove this check
if (size() != other.size()) {
data_ = nullptr; // avoid double free, other will clean up the
// memory in it's destructor
throw std::runtime_error(
LOCATION +
"Size mismatch in move constructor of NDArray<T, Ndim-1>");
}
other.reset();
}
/**
* @brief Copy construct a new NDArray object from another NDArray.
*
* @param other
*/
NDArray(const NDArray &other)
: shape_(other.shape_), strides_(c_strides<Ndim>(shape_)),
size_(other.size_), data_(new T[size_]) {
std::copy(other.data_, other.data_ + size_, data_);
}
/**
* @brief Conversion from a ArrayExpr to an actual NDArray. Used when
* the expression is evaluated and data needed.
*
* @tparam E
* @param expr
*/
template <typename E>
NDArray(ArrayExpr<E, Ndim> &&expr) : NDArray(expr.shape()) {
for (size_t i = 0; i < size_; ++i) {
data_[i] = expr[i];
}
}
/**
* @brief Destroy the NDArray object. Frees the allocated memory.
*
*/
~NDArray() { delete[] data_; }
///////////////////////////////////////////////////////////////////////////////
// Iterators and indexing
//
///////////////////////////////////////////////////////////////////////////////
auto *begin() { return data_; }
const auto *begin() const { return data_; }
auto *end() { return data_ + size_; }
const auto *end() const { return data_ + size_; }
/*
* @brief Access element at given multi-dimensional index.
* i.e. arr(i,j,k,...)
*
* @note The fast index is the last index. Please take care when iterating
* through the array.
*/
template <typename... Ix>
std::enable_if_t<sizeof...(Ix) == Ndim, T &> operator()(Ix... index) {
return data_[element_offset(strides_, index...)];
}
/*
* @brief Access element at given multi-dimensional index (const version).
* i.e. arr(i,j,k,...)
*
* @note The fast index is the last index. Please take care when iterating
* through the array.
*/
template <typename... Ix>
std::enable_if_t<sizeof...(Ix) == Ndim, const T &>
operator()(Ix... index) const {
return data_[element_offset(strides_, index...)];
}
/*
@brief Index the array as it would be a 1D array. To get a certain
pixel in a multidimensional array use the (i,j,k,...) operator instead.
*/
T &operator()(ssize_t i) { return data_[i]; }
/*
@brief Index the array as it would be a 1D array. To get a certain
pixel in a multidimensional array use the (i,j,k,...) operator instead.
*/
const T &operator()(ssize_t i) const { return data_[i]; }
/*
@brief Index the array as it would be a 1D array. To get a certain
pixel in a multidimensional array use the (i,j,k,...) operator instead.
*/
T &operator[](ssize_t i) { return data_[i]; }
/*
@brief Index the array as it would be a 1D array. To get a certain
pixel in a multidimensional array use the (i,j,k,...) operator instead.
*/
const T &operator[](ssize_t i) const { return data_[i]; }
/* @brief Return a raw pointer to the data */
T *data() { return data_; }
/* @brief Return a const raw pointer to the data */
const T *data() const { return data_; }
/* @brief Return a byte pointer to the data. Useful for memcpy like
* operations */
std::byte *buffer() { return reinterpret_cast<std::byte *>(data_); }
/**
* @brief Return the total number of elements in the array as a signed
* integer
*/
ssize_t size() const { return static_cast<ssize_t>(size_); }
/** @brief Return the total number of bytes in the array */
size_t total_bytes() const { return size_ * sizeof(T); }
/** @brief Return the shape of the array */
Shape<Ndim> shape() const noexcept { return shape_; }
/** @brief Return the size of dimension i */
ssize_t shape(ssize_t i) const noexcept { return shape_[i]; }
/** @brief Return the strides of the array */
std::array<ssize_t, Ndim> strides() const noexcept { return strides_; }
/**
* @brief Return the bitdepth of the array. Useful for checking that
* detector data can fit in the array type.
*/
size_t bitdepth() const noexcept { return sizeof(T) * 8; }
/**
* @brief Return the number of bytes to step in each dimension when
* traversing the array.
*/
std::array<ssize_t, Ndim> byte_strides() const noexcept {
auto byte_strides = strides_;
for (auto &val : byte_strides)
val *= sizeof(T);
return byte_strides;
}
using value_type = T;
///////////////////////////////////////////////////////////////////////////////
// Assignments
//
///////////////////////////////////////////////////////////////////////////////
/**
* @brief Copy to the NDArray from an std::array. If the size of the array
* is different we reallocate the data.
*
*/
template <size_t Size>
NDArray<T, 1> &operator=(const std::array<T, Size> &other) {
if (Size != size_) {
delete[] data_;
size_ = Size;
data_ = new T[size_];
}
for (size_t i = 0; i < Size; ++i) {
data_[i] = other[i];
}
return *this;
}
/**
* @brief Move assignment operator.
*/
NDArray &operator=(NDArray &&other) noexcept {
// TODO! Should we use swap?
if (this != &other) {
delete[] data_;
data_ = other.data_;
shape_ = other.shape_;
size_ = other.size_;
strides_ = other.strides_;
other.reset();
}
return *this;
}
/**
* @brief Copy assignment operator.
*/
NDArray &operator=(const NDArray &other) {
if (this != &other) {
delete[] data_;
shape_ = other.shape_;
strides_ = other.strides_;
size_ = other.size_;
data_ = new T[size_];
std::copy(other.data_, other.data_ + size_, data_);
}
return *this;
}
///////////////////////////////////////////////////////////////////////////////
// Math operators
//
///////////////////////////////////////////////////////////////////////////////
/**
* @brief Add elementwise from another NDArray.
*/
NDArray &operator+=(const NDArray &other) {
if (shape_ != other.shape_)
throw(std::runtime_error(
"Shape of NDArray must match for operator +="));
for (size_t i = 0; i < size_; ++i) {
data_[i] += other.data_[i];
}
return *this;
}
/**
* @brief Subtract elementwise with another NDArray.
*/
NDArray &operator-=(const NDArray &other) {
if (shape_ != other.shape_)
throw(std::runtime_error(
"Shape of NDArray must match for operator -="));
for (size_t i = 0; i < size_; ++i) {
data_[i] -= other.data_[i];
}
return *this;
}
/**
* @brief Multiply elementwise with another NDArray.
*/
NDArray &operator*=(const NDArray &other) {
if (shape_ != other.shape_)
throw(std::runtime_error(
"Shape of NDArray must match for operator *="));
for (size_t i = 0; i < size_; ++i) {
data_[i] *= other.data_[i];
}
return *this;
}
/**
* @brief Divide elementwise by another NDArray. Templated to allow division
* with different types.
*
* TODO! Why is this templated when the others are not?
*/
template <typename V> NDArray &operator/=(const NDArray<V, Ndim> &other) {
// check shape
if (shape_ == other.shape()) {
for (size_t i = 0; i < size_; ++i) {
data_[i] /= other(i);
}
return *this;
}
throw(std::runtime_error("Shape of NDArray must match"));
}
/**
* @brief Assign a scalar value to all elements in the NDArray.
*/
NDArray &operator=(const T &value) {
std::fill_n(data_, size_, value);
return *this;
}
/**
* @brief Add a scalar value to all elements in the NDArray.
*/
NDArray &operator+=(const T &value) {
for (size_t i = 0; i < size_; ++i)
data_[i] += value;
return *this;
}
/**
* @brief Subtract a scalar value to all elements in the NDArray.
*/
NDArray &operator-=(const T &value) {
for (size_t i = 0; i < size_; ++i)
data_[i] -= value;
return *this;
}
/**
* @brief Multiply all elements in the NDArray with a scalar value
*/
NDArray &operator*=(const T &value) {
for (size_t i = 0; i < size_; ++i)
data_[i] *= value;
return *this;
}
/**
* @brief Divide all elements in the NDArray with a scalar value
*/
NDArray &operator/=(const T &value) {
for (size_t i = 0; i < size_; ++i)
data_[i] /= value;
return *this;
}
/**
* @brief Bitwise AND all elements in the NDArray with a scalar mask.
* Used for example to mask out gain bits for Jungfrau detectors.
*/
NDArray &operator&=(const T &mask) {
for (auto it = begin(); it != end(); ++it)
*it &= mask;
return *this;
}
/**
* @brief Operator + with a scalar value. Returns a new NDArray.
*
* TODO! Expression template version of this?
*/
NDArray operator+(const T &value) {
NDArray result = *this;
result += value;
return result;
}
/**
* @brief Operator - with a scalar value. Returns a new NDArray.
*
* TODO! Expression template version of this?
*/
NDArray operator-(const T &value) {
NDArray result = *this;
result -= value;
return result;
}
/**
* @brief Operator * with a scalar value. Returns a new NDArray.
*
* TODO! Expression template version of this?
*/
NDArray operator*(const T &value) {
NDArray result = *this;
result *= value;
return result;
}
/**
* @brief Operator / with a scalar value. Returns a new NDArray.
*
* TODO! Expression template version of this?
*/
NDArray operator/(const T &value) {
NDArray result = *this;
result /= value;
return result;
}
/**
* @brief Compare two NDArrays elementwise for equality.
*/
bool operator==(const NDArray &other) const {
if (shape_ != other.shape_)
return false;
for (size_t i = 0; i != size_; ++i)
if (data_[i] != other.data_[i])
return false;
return true;
}
/**
* @brief Compare two NDArrays elementwise for non-equality.
*/
bool operator!=(const NDArray &other) const { return !((*this) == other); }
/**
* @brief Compute the square root of all elements in the NDArray.
*/
void sqrt() {
for (size_t i = 0; i < size_; ++i) {
data_[i] = std::sqrt(data_[i]);
}
}
/*
* @brief Prefix increment operator. Increments all elements by 1.
*/
NDArray &operator++() {
for (size_t i = 0; i < size_; ++i)
data_[i] += T{1};
return *this;
}
/**
* @brief Create a view of the NDArray.
*
* @return NDView<T, Ndim>
*/
NDView<T, Ndim> view() const { return NDView<T, Ndim>{data_, shape_}; }
private:
/**
* @brief Reset the NDArray to an empty state. Dropping the ownership of
* the data. Used internally for move operations to avoid double free or
* dangling pointers.
*/
void reset() {
data_ = nullptr;
size_ = 0;
std::fill(shape_.begin(), shape_.end(), 0);
std::fill(strides_.begin(), strides_.end(), 0);
}
};
///////////////////////////////////////////////////////////////////////////////
// Free functions closely related to NDArray
//
///////////////////////////////////////////////////////////////////////////////
template <typename T, ssize_t Ndim>
std::ostream &operator<<(std::ostream &os, const NDArray<T, Ndim> &arr) {
for (auto row = 0; row < arr.shape(0); ++row) {
for (auto col = 0; col < arr.shape(1); ++col) {
os << std::setw(3);
os << arr(row, col) << " ";
}
os << "\n";
}
return os;
}
template <typename T, ssize_t Ndim>
[[deprecated("Saving of raw arrays without metadata is deprecated")]] void
save(NDArray<T, Ndim> &img, std::string &pathname) {
std::ofstream f;
f.open(pathname, std::ios::binary);
f.write(img.buffer(), img.size() * sizeof(T));
f.close();
}
template <typename T, ssize_t Ndim>
[[deprecated(
"Loading of raw arrays without metadata is deprecated")]] NDArray<T, Ndim>
load(const std::string &pathname, std::array<ssize_t, Ndim> shape) {
NDArray<T, Ndim> img{shape};
std::ifstream f;
f.open(pathname, std::ios::binary);
f.read(img.buffer(), img.size() * sizeof(T));
f.close();
return img;
}
/**
* @brief Free function to safely divide two NDArrays elementwise, handling
* division by zero. Uses static_cast to convert types as needed.
*
* @tparam RT Result type
* @tparam NT Numerator type
* @tparam DT Denominator type
* @tparam Ndim Number of dimensions
* @param numerator The numerator NDArray
* @param denominator The denominator NDArray
* @return NDArray<RT, Ndim> Resulting NDArray after safe division
* @throws std::runtime_error if the shapes of the numerator and denominator do
* not match
*/
template <typename RT, typename NT, typename DT, ssize_t Ndim>
NDArray<RT, Ndim> safe_divide(const NDArray<NT, Ndim> &numerator,
const NDArray<DT, Ndim> &denominator) {
if (numerator.shape() != denominator.shape()) {
throw std::runtime_error(
"Shapes of numerator and denominator must match");
}
NDArray<RT, Ndim> result(numerator.shape());
for (ssize_t i = 0; i < numerator.size(); ++i) {
if (denominator[i] != 0) {
result[i] =
static_cast<RT>(numerator[i]) / static_cast<RT>(denominator[i]);
} else {
result[i] = RT{0}; // or handle division by zero as needed
}
}
return result;
}
} // namespace aare