PLearn 0.1
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00001 // -*- C++ -*- 00002 00003 // Molecule.h 00004 // 00005 // Copyright (C) 2006 Pascal Lamblin 00006 // 00007 // Redistribution and use in source and binary forms, with or without 00008 // modification, are permitted provided that the following conditions are met: 00009 // 00010 // 1. Redistributions of source code must retain the above copyright 00011 // notice, this list of conditions and the following disclaimer. 00012 // 00013 // 2. Redistributions in binary form must reproduce the above copyright 00014 // notice, this list of conditions and the following disclaimer in the 00015 // documentation and/or other materials provided with the distribution. 00016 // 00017 // 3. The name of the authors may not be used to endorse or promote 00018 // products derived from this software without specific prior written 00019 // permission. 00020 // 00021 // THIS SOFTWARE IS PROVIDED BY THE AUTHORS ``AS IS'' AND ANY EXPRESS OR 00022 // IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES 00023 // OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN 00024 // NO EVENT SHALL THE AUTHORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, 00025 // SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED 00026 // TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR 00027 // PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF 00028 // LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING 00029 // NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS 00030 // SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. 00031 // 00032 // This file is part of the PLearn library. For more information on the PLearn 00033 // library, go to the PLearn Web site at www.plearn.org 00034 00035 // Authors: Pascal Lamblin 00036 00040 #ifndef Molecule_INC 00041 #define Molecule_INC 00042 00043 #include <plearn/base/Object.h> 00044 00045 namespace PLearn { 00046 using namespace std; 00047 00048 class Molecule; 00049 typedef PP<Molecule> Mol; 00050 00060 class Molecule : public Object 00061 { 00062 typedef Object inherited; 00063 00064 public: 00065 //##### Public Build Options ############################################ 00066 00069 00071 Mat coordinates; 00072 00074 Mat features; 00075 00077 TVec<string> feature_names; 00078 00080 TVec<int> vrml_face_set; 00081 00083 TVec<int> vrml_line_set; 00084 00085 public: 00086 //##### Public Member Functions ######################################### 00087 00089 Molecule(); 00090 00092 Molecule( const PPath& filename ); 00093 00095 virtual void readFromFile( const PPath& filename ); 00096 00098 virtual void writeToFile( const PPath& filename ); 00099 00101 inline int n_points() { return coordinates.length(); } 00102 00104 virtual int n_features() { return features.width(); } 00105 00106 00107 //##### PLearn::Object Protocol ######################################### 00108 00109 // Declares other standard object methods. 00110 PLEARN_DECLARE_OBJECT(Molecule); 00111 00112 // Simply calls inherited::build() then build_() 00113 virtual void build(); 00114 00116 virtual void makeDeepCopyFromShallowCopy(CopiesMap& copies); 00117 00118 protected: 00119 //##### Protected Options ############################################### 00120 00121 protected: 00122 //##### Protected Member Functions ###################################### 00123 00125 virtual void readFromVRMLFile( const PPath& filename ); 00126 00128 virtual void readFromAMATFile( const PPath& filename ); 00129 00131 virtual void writeToVRMLFile( const PPath& filename ); 00132 00134 virtual void writeToAMATFile( const PPath& filename ); 00135 00137 static void declareOptions(OptionList& ol); 00138 00139 private: 00140 //##### Private Member Functions ######################################## 00141 00143 void build_(); 00144 00145 private: 00146 //##### Private Data Members ############################################ 00147 00148 }; 00149 00150 // Declares a few other classes and functions related to this class 00151 DECLARE_OBJECT_PTR(Molecule); 00152 00153 } // end of namespace PLearn 00154 00155 #endif 00156 00157 00158 /* 00159 Local Variables: 00160 mode:c++ 00161 c-basic-offset:4 00162 c-file-style:"stroustrup" 00163 c-file-offsets:((innamespace . 0)(inline-open . 0)) 00164 indent-tabs-mode:nil 00165 fill-column:79 00166 End: 00167 */ 00168 // vim: filetype=cpp:expandtab:shiftwidth=4:tabstop=8:softtabstop=4:encoding=utf-8:textwidth=79 :