/**
* Tries to parse the given symbol
*
* This method tries to parse a given symbol and returns the matrix/vector pair
* resulting from the parsing process. It takes a string representing a
* symmetry operation in the format:
* x+a/b, -y-c/d, e/f-z
* where x, y and z are the literals 'x', 'y' and 'z', while a-f are integers,
* representing rational numbers. The latter don't need to be present,
* a string "x,y,z" is valid. Leading plus-signs may be included if desired,
* so that "+x,+y,+z" is also valid.
*
* If there is a problem, a Kernel::Exception::ParseError exception is thrown.
*
* See also SymmetryOperationSymbolParser::getNormalizedIdentifier, which
* performs the opposite operation.
*
* @param identifier :: Symbol representing a symmetry operation
* @return Kernel::IntMatrix and V3R, representing the symmetry operation.
*/
std::pair<Kernel::IntMatrix, V3R>
SymmetryOperationSymbolParser::parseIdentifier(const std::string &identifier) {
MatrixVectorPair<int, V3R> pair = parseMatrixVectorPair<int>(identifier);
verifyMatrix(pair.getMatrix());
return std::make_pair(pair.getMatrix(), pair.getVector());
}
/**
* Tries to parse the given symbol
*
* This method tries to parse a given symbol and returns the matrix/vector pair
* resulting from the parsing process. It takes a string representing a
* symmetry operation in the format:
* x+a/b, -y-c/d, e/f-z
* where x, y and z are the literals 'x', 'y' and 'z', while a-f are integers,
* representing rational numbers. The latter don't need to be present,
* a string "x,y,z" is valid. Leading plus-signs may be included if desired,
* so that "+x,+y,+z" is also valid.
*
* If there is a problem, a Kernel::Exception::ParseError exception is thrown.
*
* See also SymmetryOperationSymbolParser::getNormalizedIdentifier, which
* performs the opposite operation.
*
* @param identifier :: Symbol representing a symmetry operation
* @return Kernel::IntMatrix and V3R, representing the symmetry operation.
*/
MatrixVectorPair<int, V3R>
SymmetryOperationSymbolParser::parseIdentifier(const std::string &identifier) {
MatrixVectorPair<int, V3R> pair = parseMatrixVectorPair<int>(identifier);
verifyMatrix(pair.getMatrix());
return pair;
}
/**
* Transforms the operation using the internally stored SymmetryOperation.
*
* This method returns the transformed symmetry operation, using the
* following relation:
*
* S' = O^-1 * S * O
*
* Where O is the internally stored operation.
*
* @param operation :: SymmetryOperation to transform.
* @return Transformed symmetry operation.
*/
SymmetryOperation GroupTransformation::transformOperation(
const SymmetryOperation &operation) const {
MatrixVectorPair<double, V3R> op =
m_inversePair *
MatrixVectorPair<double, V3R>(convertMatrix<double>(operation.matrix()),
operation.vector()) *
m_matrixVectorPair;
return SymmetryOperation(op.getMatrix(), op.getVector());
}
/// Returns the inverse of the symmetry operation.
SymmetryOperation SymmetryOperation::inverse() const {
MatrixVectorPair<int, V3R> inverse = m_matrixVectorPair.getInverse();
return SymmetryOperation(inverse.getMatrix(), inverse.getVector());
}
/**
* Multiplication operator for combining symmetry operations
*
* This operator constructs from S1 (this) and S2 (other) a new symmetry
*operation SymOp' with
*
* SymOp'(M', v')
*
* where
* M' = M1 * M2
*
* and
* v' = (M1 * v2) + v1
*
* and the components of v' are on the interval (0, 1].
*
* @param operand
* @return
*/
SymmetryOperation SymmetryOperation::
operator*(const SymmetryOperation &operand) const {
MatrixVectorPair<int, V3R> result =
m_matrixVectorPair * operand.m_matrixVectorPair;
return SymmetryOperation(result.getMatrix(), result.getVector());
}
/// Returns a Jones faithful representation of the symmetry operation
/// characterized by the supplied matrix/column pair.
std::string SymmetryOperationSymbolParser::getNormalizedIdentifier(
const MatrixVectorPair<int, V3R> &data) {
return getNormalizedIdentifier(data.getMatrix(), data.getVector());
}
