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RDKit
Open-source cheminformatics and machine learning.
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A symmetric matrix class. More...
#include <SymmMatrix.h>
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typedef boost::shared_array< TYPE > | DATA_SPTR |
Public Member Functions | |
SymmMatrix (unsigned int N) | |
SymmMatrix (unsigned int N, TYPE val) | |
SymmMatrix (unsigned int N, DATA_SPTR data) | |
SymmMatrix (const SymmMatrix< TYPE > &other) | |
~SymmMatrix () | |
unsigned int | numRows () const |
returns the number of rows More... | |
unsigned int | numCols () const |
returns the number of columns More... | |
unsigned int | getDataSize () const |
void | setToIdentity () |
TYPE | getVal (unsigned int i, unsigned int j) const |
void | setVal (unsigned int i, unsigned int j, TYPE val) |
void | getRow (unsigned int i, Vector< TYPE > &row) |
void | getCol (unsigned int i, Vector< TYPE > &col) |
TYPE * | getData () |
returns a pointer to our data array More... | |
const TYPE * | getData () const |
returns a const pointer to our data array More... | |
SymmMatrix< TYPE > & | operator*= (TYPE scale) |
SymmMatrix< TYPE > & | operator/= (TYPE scale) |
SymmMatrix< TYPE > & | operator+= (const SymmMatrix< TYPE > &other) |
SymmMatrix< TYPE > & | operator-= (const SymmMatrix< TYPE > &other) |
SymmMatrix< TYPE > & | operator*= (const SymmMatrix< TYPE > &B) |
in-place matrix multiplication More... | |
SymmMatrix< TYPE > & | transpose (SymmMatrix< TYPE > &transpose) const |
SymmMatrix< TYPE > & | transposeInplace () |
Protected Member Functions | |
SymmMatrix () | |
Protected Attributes | |
unsigned int | d_size |
unsigned int | d_dataSize |
DATA_SPTR | d_data |
A symmetric matrix class.
The data is stored as the lower triangle, so A[i,j] = data[i*(i+1) + j] when i >= j and A[i,j] = data[j*(j+1) + i] when i < j
Definition at line 28 of file SymmMatrix.h.
typedef boost::shared_array<TYPE> RDNumeric::SymmMatrix< TYPE >::DATA_SPTR |
Definition at line 30 of file SymmMatrix.h.
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Definition at line 32 of file SymmMatrix.h.
References RDNumeric::SymmMatrix< TYPE >::d_data, and RDNumeric::SymmMatrix< TYPE >::d_dataSize.
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Definition at line 39 of file SymmMatrix.h.
References RDNumeric::SymmMatrix< TYPE >::d_data, and RDNumeric::SymmMatrix< TYPE >::d_dataSize.
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Definition at line 49 of file SymmMatrix.h.
References RDNumeric::SymmMatrix< TYPE >::d_data.
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Definition at line 54 of file SymmMatrix.h.
References RDNumeric::SymmMatrix< TYPE >::d_data, RDNumeric::SymmMatrix< TYPE >::d_dataSize, and RDNumeric::SymmMatrix< TYPE >::getData().
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Definition at line 64 of file SymmMatrix.h.
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Definition at line 242 of file SymmMatrix.h.
References RDNumeric::SymmMatrix< TYPE >::d_size.
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Definition at line 127 of file SymmMatrix.h.
References CHECK_INVARIANT, RDNumeric::SymmMatrix< TYPE >::d_data, RDNumeric::SymmMatrix< TYPE >::d_size, RDNumeric::Vector< TYPE >::getData(), and RDNumeric::Vector< TYPE >::size().
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returns a pointer to our data array
Definition at line 143 of file SymmMatrix.h.
References RDNumeric::SymmMatrix< TYPE >::d_data.
Referenced by RDNumeric::multiply(), RDNumeric::SymmMatrix< TYPE >::operator*=(), RDNumeric::SymmMatrix< TYPE >::operator+=(), RDNumeric::SymmMatrix< TYPE >::operator-=(), RDNumeric::SymmMatrix< TYPE >::SymmMatrix(), and RDNumeric::SymmMatrix< TYPE >::transpose().
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returns a const pointer to our data array
Definition at line 148 of file SymmMatrix.h.
References RDNumeric::SymmMatrix< TYPE >::d_data.
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Definition at line 76 of file SymmMatrix.h.
References RDNumeric::SymmMatrix< TYPE >::d_dataSize.
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Definition at line 112 of file SymmMatrix.h.
References CHECK_INVARIANT, RDNumeric::SymmMatrix< TYPE >::d_data, RDNumeric::SymmMatrix< TYPE >::d_size, RDNumeric::Vector< TYPE >::getData(), and RDNumeric::Vector< TYPE >::size().
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Definition at line 88 of file SymmMatrix.h.
References RDNumeric::SymmMatrix< TYPE >::d_data, RDNumeric::SymmMatrix< TYPE >::d_size, and RANGE_CHECK.
Referenced by operator<<().
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returns the number of columns
Definition at line 72 of file SymmMatrix.h.
References RDNumeric::SymmMatrix< TYPE >::d_size.
Referenced by operator<<().
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returns the number of rows
Definition at line 67 of file SymmMatrix.h.
References RDNumeric::SymmMatrix< TYPE >::d_size.
Referenced by RDNumeric::multiply(), RDNumeric::SymmMatrix< TYPE >::operator*=(), RDNumeric::SymmMatrix< TYPE >::operator+=(), RDNumeric::SymmMatrix< TYPE >::operator-=(), operator<<(), and RDNumeric::SymmMatrix< TYPE >::transpose().
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Definition at line 152 of file SymmMatrix.h.
References RDNumeric::SymmMatrix< TYPE >::d_data, and RDNumeric::SymmMatrix< TYPE >::d_dataSize.
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in-place matrix multiplication
Definition at line 189 of file SymmMatrix.h.
References CHECK_INVARIANT, RDNumeric::SymmMatrix< TYPE >::d_data, RDNumeric::SymmMatrix< TYPE >::d_dataSize, RDNumeric::SymmMatrix< TYPE >::d_size, RDNumeric::SymmMatrix< TYPE >::getData(), and RDNumeric::SymmMatrix< TYPE >::numRows().
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Definition at line 160 of file SymmMatrix.h.
References RDNumeric::SymmMatrix< TYPE >::d_data, and RDNumeric::SymmMatrix< TYPE >::d_dataSize.
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Definition at line 80 of file SymmMatrix.h.
References RDNumeric::SymmMatrix< TYPE >::d_data, RDNumeric::SymmMatrix< TYPE >::d_dataSize, and RDNumeric::SymmMatrix< TYPE >::d_size.
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Definition at line 100 of file SymmMatrix.h.
References RDNumeric::SymmMatrix< TYPE >::d_data, RDNumeric::SymmMatrix< TYPE >::d_size, and RANGE_CHECK.
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Definition at line 235 of file SymmMatrix.h.
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Definition at line 245 of file SymmMatrix.h.
Referenced by RDNumeric::SymmMatrix< TYPE >::getCol(), RDNumeric::SymmMatrix< TYPE >::getData(), RDNumeric::SymmMatrix< TYPE >::getRow(), RDNumeric::SymmMatrix< TYPE >::getVal(), RDNumeric::SymmMatrix< TYPE >::operator*=(), RDNumeric::SymmMatrix< TYPE >::operator+=(), RDNumeric::SymmMatrix< TYPE >::operator-=(), RDNumeric::SymmMatrix< TYPE >::operator/=(), RDNumeric::SymmMatrix< TYPE >::setToIdentity(), RDNumeric::SymmMatrix< TYPE >::setVal(), RDNumeric::SymmMatrix< TYPE >::SymmMatrix(), and RDNumeric::SymmMatrix< TYPE >::transpose().
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Definition at line 244 of file SymmMatrix.h.
Referenced by RDNumeric::SymmMatrix< TYPE >::getDataSize(), RDNumeric::SymmMatrix< TYPE >::operator*=(), RDNumeric::SymmMatrix< TYPE >::operator+=(), RDNumeric::SymmMatrix< TYPE >::operator-=(), RDNumeric::SymmMatrix< TYPE >::operator/=(), RDNumeric::SymmMatrix< TYPE >::setToIdentity(), RDNumeric::SymmMatrix< TYPE >::SymmMatrix(), and RDNumeric::SymmMatrix< TYPE >::transpose().
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Definition at line 242 of file SymmMatrix.h.
Referenced by RDNumeric::SymmMatrix< TYPE >::getCol(), RDNumeric::SymmMatrix< TYPE >::getRow(), RDNumeric::SymmMatrix< TYPE >::getVal(), RDNumeric::SymmMatrix< TYPE >::numCols(), RDNumeric::SymmMatrix< TYPE >::numRows(), RDNumeric::SymmMatrix< TYPE >::operator*=(), RDNumeric::SymmMatrix< TYPE >::operator+=(), RDNumeric::SymmMatrix< TYPE >::operator-=(), RDNumeric::SymmMatrix< TYPE >::setToIdentity(), RDNumeric::SymmMatrix< TYPE >::setVal(), RDNumeric::SymmMatrix< TYPE >::SymmMatrix(), and RDNumeric::SymmMatrix< TYPE >::transpose().