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Revision 33 - (hide annotations) (download) (as text)
Wed Sep 7 04:38:51 2016 UTC (7 years, 6 months ago) by rtomiyasu
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The output format for base-centered monoclinic cells was corrected.
1 rtomiyasu 3 /*
2     * The MIT License
3    
4     Conograph (powder auto-indexing program)
5    
6     Copyright (c) <2012> <Ryoko Oishi-Tomiyasu, KEK>
7    
8     Permission is hereby granted, free of charge, to any person obtaining a copy
9     of this software and associated documentation files (the "Software"), to deal
10     in the Software without restriction, including without limitation the rights
11     to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
12     copies of the Software, and to permit persons to whom the Software is
13     furnished to do so, subject to the following conditions:
14    
15     The above copyright notice and this permission notice shall be included in
16     all copies or substantial portions of the Software.
17    
18     THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
19     IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
20     FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
21     AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
22     LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
23     OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
24     THE SOFTWARE.
25     *
26     */
27     #ifndef _TreeLattice_hh_
28     #define _TreeLattice_hh_
29     // TreeLattice.hh
30    
31     #include <ostream>
32     #include <fstream>
33     #include <assert.h>
34    
35     #include "../RietveldAnalysisTypes.hh"
36     #include "NodeB.hh"
37     #include "VecDat3.hh"
38    
39     class TreeLattice
40     {
41     private:
42     // const Int4 m_data_type;
43    
44     NodeB* m_root; // K1, K2
45     NodeB* m_root_on_left; // K2, K3
46     NodeB* m_root_on_right; // K3, K1
47    
48     bool HeadIsTail;
49    
50     bool m_is_set_sort_criteria;
51     Int4 m_count_Q;
52     Double m_detS;
53    
54     // Returns 2 if HeadIsTail is true.
55     // Returns 1 if HeadIsTail is false, and m_root, m_root_on_left, m_root_on_right are not NULL.
56     // Returns 0 otherwise.
57     // inline Int4 SuperBasis() const;
58    
59     // Sets m_detS.
60     void setAreaSquare();
61     // Sets m_count_Q.
62     void setCountOfQ();
63    
64     public:
65     TreeLattice();
66     TreeLattice(const TreeLattice& rhs);
67     ~TreeLattice();
68    
69     inline const NodeB& Root() const;
70    
71     inline void setRoot(const Int4&, const Int4&);
72     inline void setRoot(const NodeB&, const NodeB&);
73    
74     inline void setRootEqualUpper();
75     inline void setRootOnLeftBranch(const NodeB& node);
76     inline void setRootOnRightBranch(const NodeB& node);
77    
78     inline void setSortingCriteria() { this->setCountOfQ(); this->setAreaSquare(); m_is_set_sort_criteria = true; };
79     inline Int4 putCountOfQ() const{ assert(m_is_set_sort_criteria); return m_count_Q; };
80     inline const Double& putAreaSquare() const{ assert(m_is_set_sort_criteria); return m_detS; };
81    
82     inline void swapBranch();
83    
84     TreeLattice& operator=(const TreeLattice& rhs);
85    
86     void clear();
87    
88     // On output, index_tray is sorted into ascending order, any elements are not repeated.
89     void putRootBuds(set<Bud>& tray) const;
90     void putBud(set<Bud>& tray) const;
91    
92 rtomiyasu 33 void putQuadraticForm(SymMat<VCData>& Q) const;
93     // bool putQuadraticForm(SymMat<Double>& Q, multimap<Int4, VecDat3<Int4> >& qindex_hkl) const;
94 rtomiyasu 3
95     void print(ostream&, const Double& minQ, const Double& maxQ) const;
96    
97     template <class Iterator>
98     static void print(const string&, const Iterator&, const Iterator&);
99     };
100    
101    
102     //inline Int4 TreeLattice::SuperBasis() const
103     //{
104     // if( HeadIsTail ) return 2;
105     // if( m_root != NULL && m_root_on_left != NULL && m_root_on_right != NULL ) return 1;
106     // return 0;
107     //}
108    
109    
110     inline const NodeB& TreeLattice::Root() const
111     {
112     if( m_root == NULL )
113     {
114     throw ZErrorMessage(ZErrorNullPointer, __FILE__, __LINE__, __FUNCTION__);
115     }
116     return *m_root;
117     }
118    
119    
120     inline void TreeLattice::setRoot(const Int4& K1, const Int4& K2)
121     {
122     this->clear();
123     m_root = new NodeB(K1, K2);
124     }
125    
126    
127     inline void TreeLattice::setRoot(const NodeB& lhs, const NodeB& rhs)
128     {
129     this->clear();
130     assert( lhs.Right() == rhs.Right() );
131    
132     m_root = new NodeB(lhs, rhs);
133     }
134    
135     inline void TreeLattice::setRootEqualUpper()
136     {
137     delete m_root_on_left;
138     m_root_on_left = NULL;
139     delete m_root_on_right;
140     m_root_on_right = NULL;
141    
142     if( m_root->IsBud() ) HeadIsTail = false;
143     else HeadIsTail = true;
144     m_is_set_sort_criteria = false;
145     }
146    
147     inline void TreeLattice::setRootOnLeftBranch(const NodeB& nodex)
148     {
149     assert( m_root != NULL );
150    
151     delete m_root_on_left;
152     m_root_on_left = NULL;
153    
154     if( nodex.Left() == m_root->Right() )
155     {
156     if( m_root_on_right == NULL )
157     {
158     HeadIsTail = false;
159     m_root_on_left = new NodeB(nodex);
160     m_root_on_right = new NodeB(m_root_on_left->Right(), m_root->Left());
161     }
162     else if( nodex.Right() == m_root_on_right->Left() )
163     {
164     m_root_on_left = new NodeB(nodex);
165     }
166     else assert( false );
167     }
168     else if( nodex.Right() == m_root->Right() )
169     {
170     if( m_root_on_right == NULL )
171     {
172     HeadIsTail = false;
173     m_root_on_left = new NodeB(nodex);
174     m_root_on_left->swapBranch();
175     m_root_on_right = new NodeB(m_root_on_left->Right(), m_root->Left());
176     }
177     else if( nodex.Left() == m_root_on_right->Left() )
178     {
179     m_root_on_left = new NodeB(nodex);
180     m_root_on_left->swapBranch();
181     }
182     else assert( false );
183     }
184     else assert( false );
185    
186     m_is_set_sort_criteria = false;
187     }
188    
189    
190     inline void TreeLattice::setRootOnRightBranch(const NodeB& nodex)
191     {
192     assert( m_root != NULL );
193    
194     delete m_root_on_right;
195     m_root_on_right = NULL;
196    
197     if( nodex.Right() == m_root->Left() )
198     {
199     if( m_root_on_left == NULL )
200     {
201     HeadIsTail = false;
202     m_root_on_right = new NodeB(nodex);
203     m_root_on_left = new NodeB(m_root->Right(), m_root_on_right->Left());
204     }
205     else if( nodex.Left() == m_root_on_left->Right() )
206     {
207     m_root_on_right = new NodeB(nodex);
208     }
209     else assert( false );
210     }
211     else if( nodex.Left() == m_root->Left() )
212     {
213     if( m_root_on_left == NULL )
214     {
215     HeadIsTail = false;
216     m_root_on_right = new NodeB(nodex);
217     m_root_on_right->swapBranch();
218     m_root_on_left = new NodeB(m_root->Right(), m_root_on_right->Left());
219     }
220     else if( nodex.Right() == m_root_on_left->Right() )
221     {
222     m_root_on_right = new NodeB(nodex);
223     m_root_on_right->swapBranch();
224     }
225     else assert( false );
226     }
227     else assert( false );
228    
229     m_is_set_sort_criteria = false;
230     }
231    
232    
233     inline bool operator<(const TreeLattice& lhs, const TreeLattice& rhs)
234     {
235     if( lhs.putCountOfQ() > rhs.putCountOfQ() ) return true;
236     if( lhs.putCountOfQ() < rhs.putCountOfQ() ) return false;
237     return lhs.putAreaSquare() < rhs.putAreaSquare();
238     }
239    
240     inline void TreeLattice::swapBranch()
241     {
242     if( m_root != NULL ) m_root->swapBranch();
243     swap(m_root_on_left, m_root_on_right);
244    
245     if( m_root_on_left != NULL ) m_root_on_left->swapBranch();
246     if( m_root_on_right != NULL ) m_root_on_right->swapBranch();
247     }
248    
249    
250    
251     template <class Iterator>
252     void TreeLattice::print(const string& fname,
253     const Iterator& it_begin, const Iterator& it_end)
254     {
255     const vector<QData>& qdata = VCData::putPeakQData();
256     const Double maxQ = qdata.rbegin()->q; // *max_element(Qdata.begin(), Qdata.end());
257     const Double minQ = qdata.begin()->q; // *min_element(Qdata.begin(), Qdata.end());
258    
259     ofstream ofs(fname.c_str());
260    
261     ofs << "** MaxQ = " << maxQ << endl;
262     ofs << "** MinQ = " << minQ << endl;
263     ofs << "**" << endl;
264    
265     // Output
266     Int4 index = 1;
267     for(Iterator it = it_begin; it!=it_end; it++)
268     {
269     ofs << "** Tree_" << index++ << endl;
270     it->print(ofs, minQ, maxQ);
271     ofs << endl;
272     }
273     }
274    
275    
276     #endif

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