Package org.openscience.cdk.math

Class IMatrix

  • public class IMatrix
extends Object
    This class contains a complex matrix.
    Belongs to CDK module:
    qm

    • Field Detail

      • realmatrix

        public double[][] realmatrix
        the real part of the content

      • imagmatrix

        public double[][] imagmatrix
        the imaginary part of the content

      • rows

        public int rows
        the count of rows of the matrix

      • columns

        public int columns
        the count of columns of the matrix

    • Constructor Detail

      • IMatrix

        public IMatrix​(int rows,
               int columns)
        Creates a complex matrix

      • IMatrix

        public IMatrix​(Matrix m)
        Creates a complex copy of a matrix

    • Method Detail

      • getRows

        public int getRows()
        Returns the count of rows

      • getColumns

        public int getColumns()
        Returns the count of columns

      • getVectorFromRow

        public IVector getVectorFromRow​(int index)
        Creates a vector with the content of a row from this matrix

      • getVectorFromColumn

        public IVector getVectorFromColumn​(int index)
        Creates a vector with the content of a column from this matrix

      • getVectorFromDiagonal

        public IVector getVectorFromDiagonal()
        Creates a vector with the content of the diagonal elements from this matrix

      • add

        public void add​(IMatrix b,
                IMatrix result)
        Addition from two matrices

      • sub

        public IMatrix sub​(IMatrix b)
        Subtraktion from two matrices

      • sub

        public void sub​(IMatrix b,
                IMatrix result)
        Subtraktion from two matrices

      • mul

        public IMatrix mul​(IMatrix b)
        Multiplikation from two matrices

      • mul

        public void mul​(IMatrix b,
                IMatrix result)
        Multiplikation from two matrices

      • mul

        public IVector mul​(IVector a)
        Multiplikation from a vector and a matrix

      • mul

        public void mul​(IVector a,
                IVector result)
        Multiplikation from a vector and a matrix

      • mul

        public IMatrix mul​(Complex a)
        Multiplikation from a scalar and a matrix

      • mul

        public void mul​(Complex a,
                IMatrix result)
        Multiplikation from a scalar and a matrix

      • duplicate

        public IMatrix duplicate()
        Copy a matrix

      • duplicate

        public void duplicate​(IMatrix result)
        Copy a matrix

      • transpose

        public IMatrix transpose()
        Transpose a matrix

      • transpose

        public void transpose​(IMatrix result)
        Transpose a matrix

      • similar

        public IMatrix similar​(IMatrix U)
        Similar transformation Ut * M * U

      • similar

        public void similar​(IMatrix U,
                    IMatrix result)
        Similar transformation Ut * M * U

      • contraction

        public Complex contraction()
        Calculates the contraction from a matrix

      • toString

        public String toString()
        Return a matrix as a string
        Overrides:
        toString in class Object

      • reshape

        public void reshape​(int newrows,
                    int newcolumns)
        Resize the matrix