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/* |
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* The MIT License |
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|
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Conograph (powder auto-indexing program) |
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|
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Copyright (c) <2012> <Ryoko Oishi-Tomiyasu, KEK> |
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|
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Permission is hereby granted, free of charge, to any person obtaining a copy |
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of this software and associated documentation files (the "Software"), to deal |
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in the Software without restriction, including without limitation the rights |
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to use, copy, modify, merge, publish, distribute, sublicense, and/or sell |
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copies of the Software, and to permit persons to whom the Software is |
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furnished to do so, subject to the following conditions: |
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|
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The above copyright notice and this permission notice shall be included in |
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all copies or substantial portions of the Software. |
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|
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THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR |
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IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, |
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FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE |
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AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER |
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LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, |
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OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN |
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THE SOFTWARE. |
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* |
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*/ |
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#include "../utility_func/chToDouble.hh" |
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#include "../utility_lattice_reduction/put_Buerger_reduced_lattice.hh" |
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#include "OutputInfo.hh" |
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#include "VCLatticeFigureOfMeritToCheckSymmetry.hh" |
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|
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const string VCLatticeFigureOfMeritToCheckSymmetry::CS_LABEL[NUM_LS] = |
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{ "01", "02", "03", "04", "05", "06", "07", "08", "09", "10", "11", "12", "13", "14" }; |
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|
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VCLatticeFigureOfMeritToCheckSymmetry::VCLatticeFigureOfMeritToCheckSymmetry(const Double& rhs) |
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: m_label(-1), m_latfom(rhs), |
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m_S_red( SymMat43_VCData( SymMat<VCData>(3), NRMat<Int4>(4,3) ) ) |
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{ |
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} |
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|
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|
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VCLatticeFigureOfMeritToCheckSymmetry::VCLatticeFigureOfMeritToCheckSymmetry(const BravaisType& brat, |
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const SymMat43_VCData& S, |
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const ePeakShiftFunctionType& type, |
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const Double& wave_length, |
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const vector<ZParawError>& peak_shift_param_rad) |
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: m_label(-1), |
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m_S_red( SymMat43_VCData( SymMat<VCData>(3), NRMat<Int4>(4,3) ) ) |
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{ |
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this->setLatticeConstants43(brat, S); |
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m_latfom.setPeakShiftParamRadian(type, wave_length, peak_shift_param_rad); |
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m_num_lattice_found = 0; |
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} |
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|
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|
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#ifdef DEBUG |
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static bool checkInitialLatticeParameters( |
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const BravaisType& brat, |
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const SymMat43_VCData& S_red) |
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{ |
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const SymMat<Double> dbl_S_red( chToDouble(S_red.first) ); |
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|
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if( brat.enumLaueGroup() == Ci && brat.enumCentringType() == Prim ) |
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{ |
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assert( dbl_S_red(2,2)*0.9999 < dbl_S_red(1,1) && dbl_S_red(1,1)*0.9999 < dbl_S_red(0,0) |
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&& fabs( dbl_S_red(0,1) ) * 1.9999 < dbl_S_red(1,1) |
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&& fabs( dbl_S_red(0,2) ) * 1.9999 < dbl_S_red(2,2) |
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&& fabs( dbl_S_red(1,2) ) * 1.9999 < dbl_S_red(2,2) ); |
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} |
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else if( brat.enumLaueGroup() == C2h_Y && brat.enumCentringType() == Prim ) |
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{ |
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assert( 0.0 <= dbl_S_red(0,2) && dbl_S_red(2,2)*0.9999 < dbl_S_red(0,0) |
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&& fabs( dbl_S_red(0,2) ) * 1.9999 < dbl_S_red(2,2) && fabs( dbl_S_red(0,2) ) * 1.9999 < dbl_S_red(0,0) ); |
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} |
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else if( brat.enumLaueGroup() == C2h_Z && brat.enumCentringType() == Prim ) |
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{ |
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assert( 0.0 <= dbl_S_red(0,1) && dbl_S_red(1,1)*0.9999 < dbl_S_red(0,0) |
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&& fabs( dbl_S_red(0,1) ) * 1.9999 < dbl_S_red(0,0) && fabs( dbl_S_red(0,1) ) * 1.9999 < dbl_S_red(1,1) ); |
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} |
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else if( brat.enumLaueGroup() == C2h_X && brat.enumCentringType() == Prim ) |
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{ |
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assert( 0.0 <= dbl_S_red(1,2) && dbl_S_red(2,2)*0.9999 < dbl_S_red(1,1) |
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&& fabs( dbl_S_red(1,2) ) * 1.9999 < dbl_S_red(1,1) && fabs( dbl_S_red(1,2) ) * 1.9999 < dbl_S_red(2,2) ); |
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} |
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else if( brat.enumLaueGroup() == C2h_Y && brat.enumCentringType() == BaseZ ) |
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{ |
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assert( 0.0 <= dbl_S_red(0,2) && fabs( dbl_S_red(0,2) ) * 1.9999 < dbl_S_red(2,2) && fabs( dbl_S_red(0,2) ) * 0.9999 < dbl_S_red(0,0) ); |
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} |
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else if( brat.enumLaueGroup() == C2h_Z && brat.enumCentringType() == BaseX ) |
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{ |
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assert( 0.0 <= dbl_S_red(0,1) && fabs( dbl_S_red(0,1) ) * 1.9999 < dbl_S_red(0,0) && fabs( dbl_S_red(0,1) ) * 0.9999 < dbl_S_red(1,1) ); |
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} |
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else if( brat.enumLaueGroup() == C2h_X && brat.enumCentringType() == BaseY ) |
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{ |
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assert( 0.0 <= dbl_S_red(1,2) && fabs( dbl_S_red(1,2) ) * 1.9999 < dbl_S_red(1,1) && fabs( dbl_S_red(1,2) ) * 0.9999 < dbl_S_red(2,2) ); |
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} |
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else if( brat.enumLaueGroup() == D2h |
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&& brat.enumCentringType() != BaseX |
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&& brat.enumCentringType() != BaseY |
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&& brat.enumCentringType() != BaseZ ) |
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{ |
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assert( dbl_S_red(2,2)*0.9999 < dbl_S_red(1,1) && dbl_S_red(1,1)*0.9999 < dbl_S_red(0,0) ); |
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} |
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|
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const SymMat<VCData> S_super = transform_sym_matrix(S_red.second, S_red.first); |
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assert( S_super(0,1) <= VCData() |
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&& S_super(0,2) <= VCData() |
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&& S_super(0,3) <= VCData() |
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&& S_super(1,2) <= VCData() |
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&& S_super(1,3) <= VCData() |
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&& S_super(2,3) <= VCData() ); |
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|
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SymMat<VCData> S_red_cp = S_red.first; |
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cal_average_crystal_system(brat.enumLaueGroup(), S_red_cp); |
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assert( S_red.first(0,0).putVecCoef() == S_red_cp(0,0).putVecCoef() ); |
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assert( S_red.first(1,1).putVecCoef() == S_red_cp(1,1).putVecCoef() ); |
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assert( S_red.first(2,2).putVecCoef() == S_red_cp(2,2).putVecCoef() ); |
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assert( S_red.first(0,1).putVecCoef() == S_red_cp(0,1).putVecCoef() ); |
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assert( S_red.first(0,2).putVecCoef() == S_red_cp(0,2).putVecCoef() ); |
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assert( S_red.first(1,2).putVecCoef() == S_red_cp(1,2).putVecCoef() ); |
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|
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return true; |
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} |
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#endif |
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|
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|
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void VCLatticeFigureOfMeritToCheckSymmetry::setLatticeConstants43(const BravaisType& brat, const SymMat43_VCData& S) |
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{ |
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m_S_red = S; |
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assert( checkInitialLatticeParameters(brat, m_S_red) ); |
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|
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m_latfom.setLatticeConstants43(brat, SymMat43_Double(chToDouble(m_S_red.first), m_S_red.second)); |
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m_num_lattice_found = 0; |
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} |
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|
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|
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|
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|
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bool VCLatticeFigureOfMeritToCheckSymmetry::checkIfLatticeIsMonoclinic(const ePointGroup& epg_new, |
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const Double& cv2, |
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map< SymMat<VCData>, NRMat<Int4> >& ans) const |
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{ |
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ans.clear(); |
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|
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SymMat<VCData> ans0 = m_S_red.first; |
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cal_average_crystal_system(C2h_X, ans0); |
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|
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SymMat<VCData> S_red(3); |
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NRMat<Int4> trans_mat2; |
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if( check_equiv_m(ans0, m_S_red.first, cv2 ) ) |
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{ |
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if( epg_new == C2h_X ) |
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{ |
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S_red = ans0; |
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trans_mat2 = m_S_red.second; |
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putBuergerReducedMonoclinicP<VCData>(1, 2, S_red, trans_mat2); |
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} |
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else if( epg_new == C2h_Y ) |
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{ |
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S_red = transform_sym_matrix(put_matrix_YXZ(), ans0); |
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trans_mat2 = mprod(m_S_red.second, put_matrix_YXZ()); |
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putBuergerReducedMonoclinicP<VCData>(0, 2, S_red, trans_mat2); |
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} |
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else // if( epg_new == C2h_Z ) |
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{ |
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S_red = transform_sym_matrix(put_matrix_YZX(), ans0); |
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trans_mat2 = mprod(m_S_red.second, put_matrix_ZXY()); |
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putBuergerReducedMonoclinicP<VCData>(0, 1, S_red, trans_mat2); |
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} |
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ans.insert( SymMat43_VCData( S_red, trans_mat2) ); |
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} |
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|
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ans0 = m_S_red.first; |
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cal_average_crystal_system(C2h_Y, ans0); |
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if( check_equiv_m(ans0, m_S_red.first, cv2 ) ) |
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{ |
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if( epg_new == C2h_X ) |
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{ |
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S_red = transform_sym_matrix(put_matrix_YXZ(), ans0); |
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trans_mat2 = mprod(m_S_red.second, put_matrix_YXZ()); |
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putBuergerReducedMonoclinicP<VCData>(1, 2, S_red, trans_mat2); |
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} |
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else if( epg_new == C2h_Y ) |
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{ |
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S_red = ans0; |
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trans_mat2 = m_S_red.second; |
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putBuergerReducedMonoclinicP<VCData>(0, 2, S_red, trans_mat2); |
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} |
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else // if( epg_new == C2h_Z ) |
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{ |
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S_red = transform_sym_matrix(put_matrix_XZY(), ans0); |
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trans_mat2 = mprod(m_S_red.second, put_matrix_XZY()); |
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putBuergerReducedMonoclinicP<VCData>(0, 1, S_red, trans_mat2); |
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} |
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ans.insert( SymMat43_VCData( S_red, trans_mat2) ); |
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} |
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|
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ans0 = m_S_red.first; |
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cal_average_crystal_system(C2h_Z, ans0); |
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if( check_equiv_m(ans0, m_S_red.first, cv2 ) ) |
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{ |
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if( epg_new == C2h_X ) |
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{ |
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S_red = transform_sym_matrix(put_matrix_ZXY(), ans0); |
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trans_mat2 = mprod(m_S_red.second, put_matrix_YZX()); |
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putBuergerReducedMonoclinicP<VCData>(1, 2, S_red, trans_mat2); |
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} |
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else if( epg_new == C2h_Y ) |
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{ |
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S_red = transform_sym_matrix(put_matrix_XZY(), ans0); |
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trans_mat2 = mprod(m_S_red.second, put_matrix_XZY()); |
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putBuergerReducedMonoclinicP<VCData>(0, 2, S_red, trans_mat2); |
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} |
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else // if( epg_new == C2h_Z ) |
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{ |
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S_red = ans0; |
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trans_mat2 = m_S_red.second; |
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putBuergerReducedMonoclinicP<VCData>(0, 1, S_red, trans_mat2); |
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} |
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ans.insert( SymMat43_VCData( S_red, trans_mat2) ); |
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} |
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|
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return !( ans.empty() ); |
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} |
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|
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|
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bool VCLatticeFigureOfMeritToCheckSymmetry::checkIfLatticeIsOrthorhombic(const Double& cv2, |
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map< SymMat<VCData>, NRMat<Int4> >& ans) const |
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{ |
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ans.clear(); |
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|
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const BravaisType& brat = m_latfom.putBravaisType(); |
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|
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SymMat<VCData> ans0 = m_S_red.first; |
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cal_average_crystal_system(D2h, ans0); |
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if( check_equiv_m(ans0, m_S_red.first, cv2 ) ) |
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{ |
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if( brat.enumCentringType() == BaseX ) |
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{ |
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if( ans0(1,1) < ans0(2,2) ) |
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{ |
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ans.insert( SymMat43_VCData( transform_sym_matrix(put_matrix_ZYX(), ans0), mprod( m_S_red.second, put_matrix_ZYX() ) ) ); |
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} |
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else |
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{ |
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ans.insert( SymMat43_VCData( transform_sym_matrix(put_matrix_YZX(), ans0), mprod( m_S_red.second, put_matrix_ZXY() ) ) ); |
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} |
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} |
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else if( brat.enumCentringType() == BaseY ) |
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{ |
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if( ans0(0,0) < ans0(2,2) ) |
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{ |
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ans.insert( SymMat43_VCData( transform_sym_matrix(put_matrix_ZXY(), ans0), mprod( m_S_red.second, put_matrix_YZX() ) ) ); |
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} |
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else |
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{ |
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ans.insert( SymMat43_VCData( transform_sym_matrix(put_matrix_XZY(), ans0), mprod( m_S_red.second, put_matrix_XZY() ) ) ); |
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} |
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} |
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else if( brat.enumCentringType() == BaseZ ) |
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{ |
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if( ans0(0,0) < ans0(1,1) ) |
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{ |
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ans.insert( SymMat43_VCData( transform_sym_matrix(put_matrix_YXZ(), ans0), mprod( m_S_red.second, put_matrix_YXZ() ) ) ); |
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} |
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else |
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{ |
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ans.insert( SymMat43_VCData( transform_sym_matrix(put_matrix_XYZ(), ans0), m_S_red.second ) ); |
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} |
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} |
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else |
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{ |
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NRMat<Int4> trans_mat = m_S_red.second; |
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putBuergerReducedOrthorhombic(brat.enumCentringType(), ans0, trans_mat); |
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ans.insert( SymMat43_VCData(ans0, trans_mat ) ); |
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} |
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return true; |
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} |
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return false; |
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} |
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|
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|
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bool VCLatticeFigureOfMeritToCheckSymmetry::checkIfLatticeIsTetragonal(const Double& cv2, |
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map< SymMat<VCData>, NRMat<Int4> >& ans) const |
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{ |
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ans.clear(); |
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|
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SymMat<VCData> ans0 = m_S_red.first; |
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cal_average_crystal_system(D4h_X, ans0); |
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if( check_equiv_m(ans0, m_S_red.first, cv2 ) ) |
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{ |
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ans.insert( SymMat43_VCData( |
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transform_sym_matrix(put_matrix_YZX(), ans0), mprod( m_S_red.second, put_matrix_ZXY() ) ) ); |
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} |
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|
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ans0 = m_S_red.first; |
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cal_average_crystal_system(D4h_Y, ans0); |
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if( check_equiv_m(ans0, m_S_red.first, cv2 ) ) |
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{ |
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ans.insert( SymMat43_VCData( |
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transform_sym_matrix(put_matrix_XZY(), ans0), mprod( m_S_red.second, put_matrix_XZY() ) ) ); |
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} |
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|
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ans0 = m_S_red.first; |
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cal_average_crystal_system(D4h_Z, ans0); |
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if( check_equiv_m(ans0, m_S_red.first, cv2 ) ) |
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{ |
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ans.insert( SymMat43_VCData(ans0, m_S_red.second ) ); |
| 309 |
} |
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|
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return !( ans.empty() ); |
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} |
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|
| 314 |
|
| 315 |
|
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|
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bool VCLatticeFigureOfMeritToCheckSymmetry::checkIfLatticeIsHexagonal(const ePointGroup& epg_new, const Double& cv2, |
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map< SymMat<VCData>, NRMat<Int4> >& ans) const |
| 319 |
{ |
| 320 |
ans.clear(); |
| 321 |
const BravaisType& brat = m_latfom.putBravaisType(); |
| 322 |
|
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SymMat43_VCData ans2(SymMat<VCData>(3), NRMat<Int4>(3,3)); |
| 324 |
|
| 325 |
if( brat.enumLaueGroup() == C2h_X ) |
| 326 |
{ |
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ans2.first = transform_sym_matrix(put_matrix_YZX(), m_S_red.first); |
| 328 |
ans2.second = mprod( m_S_red.second, put_matrix_ZXY() ); |
| 329 |
} |
| 330 |
else if( brat.enumLaueGroup() == C2h_Y ) |
| 331 |
{ |
| 332 |
ans2.first = transform_sym_matrix(put_matrix_ZXY(), m_S_red.first); |
| 333 |
ans2.second = mprod( m_S_red.second, put_matrix_YZX() ); |
| 334 |
} |
| 335 |
else // if( brat.enumLaueGroup() == C2h_Z ) |
| 336 |
{ |
| 337 |
ans2.first = transform_sym_matrix(put_matrix_XYZ(), m_S_red.first); |
| 338 |
ans2.second = m_S_red.second; |
| 339 |
} |
| 340 |
|
| 341 |
if( ans2.first(0,1) < VCData() ) |
| 342 |
{ |
| 343 |
ans2.first(0,1) *= -1; |
| 344 |
ans2.second[0][0] *= -1; |
| 345 |
ans2.second[1][0] *= -1; |
| 346 |
ans2.second[2][0] *= -1; |
| 347 |
} |
| 348 |
|
| 349 |
SymMat<VCData> ans0 = ans2.first; |
| 350 |
cal_average_crystal_system(epg_new, ans2.first); |
| 351 |
if( check_equiv_m(ans2.first, ans0, cv2 ) ) |
| 352 |
{ |
| 353 |
ans.insert( ans2 ); |
| 354 |
return true; |
| 355 |
} |
| 356 |
else return false; |
| 357 |
} |
| 358 |
|
| 359 |
|
| 360 |
bool VCLatticeFigureOfMeritToCheckSymmetry::checkLatticeSymmetry(const ePointGroup& epg_new, const Double& cv2, |
| 361 |
map< SymMat<VCData>, NRMat<Int4> >& ans) const |
| 362 |
{ |
| 363 |
ans.clear(); |
| 364 |
const BravaisType& brat = m_latfom.putBravaisType(); |
| 365 |
if( epg_new == Ci || epg_new == brat.enumLaueGroup() ) |
| 366 |
{ |
| 367 |
ans.insert( m_S_red ); |
| 368 |
return true; |
| 369 |
} |
| 370 |
|
| 371 |
if( epg_new == C2h_X || epg_new == C2h_Y || epg_new == C2h_Z ) |
| 372 |
{ |
| 373 |
assert( brat.enumLaueGroup() == Ci ); |
| 374 |
assert( brat.enumCentringType() == Prim ); |
| 375 |
|
| 376 |
return checkIfLatticeIsMonoclinic(epg_new, cv2, ans); |
| 377 |
} |
| 378 |
else if( epg_new == D4h_Z ) |
| 379 |
{ |
| 380 |
assert( brat.enumLaueGroup() == D2h ); |
| 381 |
assert( brat.enumCentringType() == Prim |
| 382 |
|| brat.enumCentringType() == Inner ); |
| 383 |
|
| 384 |
return checkIfLatticeIsTetragonal(cv2, ans); |
| 385 |
} |
| 386 |
else if( epg_new == D2h ) |
| 387 |
{ |
| 388 |
assert( brat.enumLaueGroup() != Ci || brat.enumCentringType() == Prim ); |
| 389 |
assert( brat.enumLaueGroup() != C2h_Z || brat.enumCentringType() == BaseX ); |
| 390 |
assert( brat.enumLaueGroup() != C2h_X || brat.enumCentringType() == BaseY ); |
| 391 |
assert( brat.enumLaueGroup() != C2h_Y || brat.enumCentringType() == BaseZ ); |
| 392 |
assert( brat.enumCentringType() != Rhom_hex ); |
| 393 |
|
| 394 |
return checkIfLatticeIsOrthorhombic(cv2, ans); |
| 395 |
} |
| 396 |
else if( epg_new == D6h ) |
| 397 |
{ |
| 398 |
assert( brat.enumCentringType() == Prim ); |
| 399 |
assert( brat.enumLaueGroup() == C2h_X |
| 400 |
|| brat.enumLaueGroup() == C2h_Y |
| 401 |
|| brat.enumLaueGroup() == C2h_Z ); |
| 402 |
return checkIfLatticeIsHexagonal(epg_new, cv2, ans); |
| 403 |
} |
| 404 |
else |
| 405 |
{ |
| 406 |
assert( epg_new == Oh ); |
| 407 |
assert( brat.enumCentringType() == Prim |
| 408 |
|| brat.enumCentringType() == Inner |
| 409 |
|| brat.enumCentringType() == Face ); |
| 410 |
|
| 411 |
SymMat43_VCData ans2 = m_S_red; |
| 412 |
cal_average_crystal_system(epg_new, ans2.first); |
| 413 |
if( check_equiv_m(ans2.first, m_S_red.first, cv2 ) ) |
| 414 |
{ |
| 415 |
ans.insert( ans2 ); |
| 416 |
return true; |
| 417 |
} |
| 418 |
} |
| 419 |
return !(ans.empty()); |
| 420 |
} |
| 421 |
|
| 422 |
|
| 423 |
void VCLatticeFigureOfMeritToCheckSymmetry::putLatticesOfHigherSymmetry( |
| 424 |
const ePointGroup& epg, const Double& cv2, |
| 425 |
vector<VCLatticeFigureOfMeritToCheckSymmetry>& lattice_result) const |
| 426 |
{ |
| 427 |
lattice_result.clear(); |
| 428 |
map< SymMat<VCData>, NRMat<Int4> > S_red_tray; |
| 429 |
if( !this->checkLatticeSymmetry(epg, cv2, S_red_tray) ) return; |
| 430 |
|
| 431 |
const BravaisType& ebrat_original = this->putLatticeFigureOfMerit().putBravaisType(); |
| 432 |
const eCentringType eblat = (ebrat_original.enumBravaisType()==Monoclinic_B? |
| 433 |
(epg==D31d_rho?Prim:(epg==D3d_1_hex?Rhom_hex:BaseZ)):ebrat_original.enumCentringType()); |
| 434 |
|
| 435 |
const NRMat<Int4> matrix_min_to_sell = this->putInitialForm().second; |
| 436 |
|
| 437 |
SymMat<Double> S_super(4); |
| 438 |
NRMat<Int4> trans_mat(4,3); |
| 439 |
|
| 440 |
for(map< SymMat<VCData>, NRMat<Int4> >::const_iterator it=S_red_tray.begin(); it!=S_red_tray.end(); it++) |
| 441 |
{ |
| 442 |
// S_super = it->second * it->first * Transpose(it->second) is close to |
| 443 |
// Delone-reduced form of the original lattice. |
| 444 |
S_super = transform_sym_matrix(it->second, chToDouble(it->first) ); |
| 445 |
|
| 446 |
trans_mat = identity_matrix<Int4>(4); |
| 447 |
|
| 448 |
// S_super = trans_mat * it->second * it->first * Transpose(trans_mat * it->second). |
| 449 |
put_Selling_reduced_dim_less_than_4(S_super, trans_mat); |
| 450 |
moveSmallerDiagonalLeftUpper(S_super, trans_mat); |
| 451 |
|
| 452 |
lattice_result.push_back( VCLatticeFigureOfMeritToCheckSymmetry( BravaisType( pair<eCentringType, ePointGroup>(eblat, epg) ), |
| 453 |
SymMat43_VCData(it->first, mprod(trans_mat, it->second) ), |
| 454 |
this->putLatticeFigureOfMerit().putPeakShiftFunctionType(), |
| 455 |
this->putLatticeFigureOfMerit().putWaveLength(), |
| 456 |
this->putLatticeFigureOfMerit().putPeakShiftParamRadian() ) ); |
| 457 |
} |
| 458 |
} |
| 459 |
|
| 460 |
|
| 461 |
void VCLatticeFigureOfMeritToCheckSymmetry::printLatticeInformation( |
| 462 |
const vector<VCLatticeFigureOfMeritToCheckSymmetry> lattice_result[], |
| 463 |
const OutputInfo outinfo[], |
| 464 |
const eABCaxis& abc_axis, |
| 465 |
const eRHaxis& rh_axis, |
| 466 |
const Double& resol, |
| 467 |
const Int4& label_start0, |
| 468 |
ostream* os) const |
| 469 |
{ |
| 470 |
m_latfom.printLatticeInformation(abc_axis, rh_axis, resol, label_start0, os); |
| 471 |
|
| 472 |
Int4 label_start = label_start0; |
| 473 |
os->width(label_start); |
| 474 |
*os << "" << "<NumberOfLatticesInNeighborhood>"; |
| 475 |
os->width(14); |
| 476 |
*os << this->putNumberOfLatticesInNeighborhood(); |
| 477 |
*os << " </NumberOfLatticesInNeighborhood>\n\n"; |
| 478 |
} |
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