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// -*- mode: C++; tab-width: 2; -*-
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// --------------------------------------------------------------------------
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// OpenMS Mass Spectrometry Framework
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// --------------------------------------------------------------------------
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// Copyright (C) 2003-2011 -- Oliver Kohlbacher, Knut Reinert
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// This library is free software; you can redistribute it and/or
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// modify it under the terms of the GNU Lesser General Public
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// License as published by the Free Software Foundation; either
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// version 2.1 of the License, or (at your option) any later version.
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// This library is distributed in the hope that it will be useful,
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// but WITHOUT ANY WARRANTY; without even the implied warranty of
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// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
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// Lesser General Public License for more details.
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// You should have received a copy of the GNU Lesser General Public
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// License along with this library; if not, write to the Free Software
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// Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
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// --------------------------------------------------------------------------
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// OpenMS -- Open-Source Mass Spectrometry
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// --------------------------------------------------------------------------
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// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
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// ETH Zurich, and Freie Universitaet Berlin 2002-2013.
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// This software is released under a three-clause BSD license:
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// * Redistributions of source code must retain the above copyright
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// notice, this list of conditions and the following disclaimer.
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// * Redistributions in binary form must reproduce the above copyright
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// notice, this list of conditions and the following disclaimer in the
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// documentation and/or other materials provided with the distribution.
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// * Neither the name of any author or any participating institution
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// may be used to endorse or promote products derived from this software
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// without specific prior written permission.
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// For a full list of authors, refer to the file AUTHORS.
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// --------------------------------------------------------------------------
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// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
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// AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
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// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
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// ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING
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// INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
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// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
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// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
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// OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
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// WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
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// OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
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// ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
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// --------------------------------------------------------------------------
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// $Maintainer: Clemens Groepl $
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@brief Generic description of a coordinate transformation.
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This description primarily stores data points (coordinate pairs) from which a @ref TransformationModel "transformation model" can be estimated. Applying the transformation to a coordinate (via @p apply) then means evaluating the model at that coordinate.
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The following models are available:
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- @p none (TransformationModel): \f$ f(x) = x \f$ (identity)
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- @p identity: Same as @p none, but intended for reference files (used to indicate that no other model should be fit, because the identity is already optimal).
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- @p linear (TransformationModelLinear): \f$ f(x) = slope * x + intercept \f$
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- @p interpolated (TransformationModelInterpolated): Interpolation between pairs, extrapolation using first and last pair. Supports different interpolation types.
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- @p b_spline (TransformationModelBSpline): Smoothing cubic B-spline.
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@remark TransformationDescription stores data points, TransformationModel stores parameters. That way, data can be modeled using different models/parameters, and models can still keep a representation of the data in the format they need (if at all).
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class OPENMS_DLLAPI TransformationDescription
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// friend class MapAlignmentAlgorithm;
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typedef TransformationModel::DataPoint DataPoint;
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/// Vector of coordinate pairs
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typedef TransformationModel::DataPoints DataPoints;
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/// Default constructor
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TransformationDescription();
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/// Constructor from data
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TransformationDescription(const DataPoints& data);
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~TransformationDescription();
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TransformationDescription(const TransformationDescription& rhs);
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/// Assignment operator
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TransformationDescription& operator=(const TransformationDescription& rhs);
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/// Fits a model to the data
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void fitModel(const String& model_type, const Param& params=Param());
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@brief Applies the transformation to @p value.
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Returns the result of evaluating the fitted model at @p value.
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Returns @p value unchanged if no model was fitted.
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DoubleReal apply(DoubleReal value) const;
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/// Gets the type of the fitted model
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const String& getModelType() const;
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/// Gets the possible types of models
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static void getModelTypes(StringList& result);
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@brief Sets the data points
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Removes the model that was previously fitted to the data (if any).
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void setDataPoints(const DataPoints& data);
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/// Returns the data points
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const DataPoints& getDataPoints() const;
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/// Non-mutable access to the model parameters
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void getModelParameters(Param& params) const;
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/// Computes an (approximate) inverse of the transformation
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TransformationModel* model_;
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@brief Generic description of a coordinate transformation.
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This description primarily stores data points (coordinate pairs) from which a @ref TransformationModel "transformation model" can be estimated. Applying the transformation to a coordinate (via @p apply) then means evaluating the model at that coordinate.
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The following models are available:
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- @p none (TransformationModel): \f$ f(x) = x \f$ (identity)
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- @p identity: Same as @p none, but intended for reference files (used to indicate that no other model should be fit, because the identity is already optimal).
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- @p linear (TransformationModelLinear): \f$ f(x) = slope * x + intercept \f$
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- @p interpolated (TransformationModelInterpolated): Interpolation between pairs, extrapolation using first and last pair. Supports different interpolation types.
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- @p b_spline (TransformationModelBSpline): Smoothing cubic B-spline.
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@remark TransformationDescription stores data points, TransformationModel stores parameters. That way, data can be modeled using different models/parameters, and models can still keep a representation of the data in the format they need (if at all).
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class OPENMS_DLLAPI TransformationDescription
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// friend class MapAlignmentAlgorithm;
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typedef TransformationModel::DataPoint DataPoint;
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/// Vector of coordinate pairs
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typedef TransformationModel::DataPoints DataPoints;
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/// Default constructor
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TransformationDescription();
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/// Constructor from data
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TransformationDescription(const DataPoints & data);
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~TransformationDescription();
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TransformationDescription(const TransformationDescription & rhs);
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/// Assignment operator
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TransformationDescription & operator=(const TransformationDescription & rhs);
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/// Fits a model to the data
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void fitModel(const String & model_type, const Param & params = Param());
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@brief Applies the transformation to @p value.
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Returns the result of evaluating the fitted model at @p value.
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Returns @p value unchanged if no model was fitted.
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DoubleReal apply(DoubleReal value) const;
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/// Gets the type of the fitted model
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const String & getModelType() const;
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/// Gets the possible types of models
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static void getModelTypes(StringList & result);
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@brief Sets the data points
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Removes the model that was previously fitted to the data (if any).
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void setDataPoints(const DataPoints & data);
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/// Returns the data points
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const DataPoints & getDataPoints() const;
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/// Non-mutable access to the model parameters
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void getModelParameters(Param & params) const;
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/// Computes an (approximate) inverse of the transformation
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TransformationModel * model_;
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} // end of namespace OpenMS
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#endif // OPENMS_ANALYSIS_MAPMATCHING_TRANSFORMATIONDESCRIPTION_H