1 files changed, 190 insertions, 0 deletions
diff --git a/libpsi-core/src/maths/matrix.rs b/libpsi-core/src/maths/matrix.rs
new file mode 100644
index 0000000..975c92d
--- /dev/null
+++ b/libpsi-core/src/maths/matrix.rs
@@ -0,0 +1,190 @@
+use super::Float;
+use core::{fmt, ops};
+
+#[macro_export]
+macro_rules! matrix {
+    ( $( $( $x:expr ),* );* ) => {{
+        let mut data = Vec::new();
+        let mut rows = 0;
+        let mut cols = 0;
+
+        $(
+            let row_data = $( $x )*;
+            if cols == 0 {
+                cols = row_data.len();
+            }
+            assert_eq!(cols, row_data.len(), "All rows must have the same number of columns.");
+            data.extend(row_data);
+            rows += 1;
+        )*
+
+        $crate::Matrix::new(rows, cols, data)
+    }};
+}
+
+#[derive(Clone)]
+pub struct Matrix<T: Float> {
+    pub data: Vec<T>,
+    pub rows: usize,
+    pub cols: usize,
+}
+
+impl<T: Float> Matrix<T> {
+    pub fn new(rows: usize, cols: usize, data: Vec<T>) -> Self {
+        Matrix { data, rows, cols }
+    }
+
+    pub fn get(&self, row: usize, col: usize) -> T {
+        self.data[row * self.cols + col]
+    }
+
+    pub fn set(&mut self, row: usize, col: usize, value: T) {
+        self.data[row * self.cols + col] = value;
+    }
+
+    pub fn dot(&self, other: &Self) -> Option<Matrix<T>> {
+        if self.cols != other.rows {
+            return None;
+        }
+
+        let mut result = Matrix::new(
+            self.rows,
+            other.cols,
+            vec![T::zero(); self.rows * other.cols],
+        );
+        for i in 0..self.rows {
+            for j in 0..other.cols {
+                let mut sum = T::zero();
+                for k in 0..self.cols {
+                    sum = sum + (self.get(i, k) * other.get(k, j));
+                }
+                result.set(i, j, sum);
+            }
+        }
+        Some(result)
+    }
+
+    pub fn kronecker(&self, other: &Self) -> Matrix<T> {
+        let new_rows = self.rows * other.rows;
+        let new_cols = self.cols * other.cols;
+
+        let mut result = Matrix::new(new_rows, new_cols, vec![T::zero(); new_rows * new_cols]);
+
+        for i in 0..self.rows {
+            for j in 0..self.cols {
+                let self_val = self.get(i, j);
+                for k in 0..other.rows {
+                    for l in 0..other.cols {
+                        let result_row = i * other.rows + k;
+                        let result_col = j * other.cols + l;
+                        result.set(result_row, result_col, self_val.clone() * other.get(k, l));
+                    }
+                }
+            }
+        }
+
+        result
+    }
+
+    pub fn transpose(&self) -> Matrix<T> {
+        let mut result = Matrix::new(self.cols, self.rows, vec![T::zero(); self.cols * self.rows]);
+
+        for i in 0..self.rows {
+            for j in 0..self.cols {
+                let value = self.get(i, j);
+                result.set(j, i, value);
+            }
+        }
+
+        result
+    }
+
+    pub fn add_to(&self, other: &Self) -> Option<Matrix<T>> {
+        if self.rows != other.rows || self.cols != other.cols {
+            return None;
+        }
+
+        let mut result = Matrix::new(self.rows, self.cols, vec![T::zero(); self.rows * self.cols]);
+
+        for i in 0..self.rows {
+            for j in 0..self.cols {
+                let sum = self.get(i, j) + other.get(i, j);
+                result.set(i, j, sum);
+            }
+        }
+        Some(result)
+    }
+
+    pub fn subtract(&self, other: &Self) -> Option<Matrix<T>> {
+        if self.rows != other.rows || self.cols != other.cols {
+            return None;
+        }
+
+        let mut result = Matrix::new(self.rows, self.cols, vec![T::zero(); self.rows * self.cols]);
+
+        for i in 0..self.rows {
+            for j in 0..self.cols {
+                let diff = self.get(i, j) - other.get(i, j);
+                result.set(i, j, diff);
+            }
+        }
+        Some(result)
+    }
+
+    pub fn scale(&self, scalar: T) -> Matrix<T> {
+        let mut result = Matrix::new(self.rows, self.cols, vec![T::zero(); self.rows * self.cols]);
+
+        for i in 0..self.rows {
+            for j in 0..self.cols {
+                let scaled_value = self.get(i, j) * scalar;
+                result.set(i, j, scaled_value);
+            }
+        }
+        result
+    }
+}
+
+impl<T: Float> ops::Index<(usize, usize)> for Matrix<T> {
+    type Output = T;
+
+    fn index(&self, index: (usize, usize)) -> &Self::Output {
+        &self.data[index.0 * self.cols + index.1]
+    }
+}
+
+impl<T: Float> ops::IndexMut<(usize, usize)> for Matrix<T> {
+    fn index_mut(&mut self, index: (usize, usize)) -> &mut Self::Output {
+        &mut self.data[index.0 * self.cols + index.1]
+    }
+}
+
+impl<T: Float + fmt::Debug> fmt::Debug for Matrix<T> {
+    fn fmt(&self, f: &mut fmt::Formatter<'_>) -> fmt::Result {
+        for i in 0..self.rows {
+            for j in 0..self.cols {
+                write!(f, "{:?} ", self.get(i, j))?;
+            }
+            writeln!(f)?;
+        }
+        Ok(())
+    }
+}
+
+impl<T: Float + fmt::Display> fmt::Display for Matrix<T> {
+    fn fmt(&self, f: &mut fmt::Formatter<'_>) -> fmt::Result {
+        for i in 0..self.rows {
+            write!(f, "[")?;
+            for j in 0..self.cols {
+                write!(f, "{}", self.get(i, j))?;
+                if j != self.cols - 1 {
+                    write!(f, " ")?;
+                }
+            }
+            write!(f, "]")?;
+            if i != self.rows - 1 {
+                write!(f, "\n")?;
+            }
+        }
+        Ok(())
+    }
+}