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Diff of /Conograph/trunk/src/lattice_symmetry/gather_q_of_Ndim_lattice.cc
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// On input, S_super = TransMat * S * transpose(TransMat). |
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void gatherQcal(const SymMat<Double>& S_super, |
void gatherQcal(const SymMat<Double>& S_super, |
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const Double& maxQ, |
const Double& maxQ, |
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vector<HKL_Q>& qcal_tray |
vector<HKL_Q>& qcal_tray |
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inline VecDat3<Int4> product_hkl(const VecDat3<Int4>& lhs, const NRMat<Int4>& rhs) |
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assert( rhs.nrows() >= 3 && rhs.ncols() == 3 ); |
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VecDat3<Int4> ans; |
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ans[0] = lhs[0]*rhs[0][0] + lhs[1]*rhs[1][0] + lhs[2]*rhs[2][0]; |
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ans[1] = lhs[0]*rhs[0][1] + lhs[1]*rhs[1][1] + lhs[2]*rhs[2][1]; |
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ans[2] = lhs[0]*rhs[0][2] + lhs[1]*rhs[1][2] + lhs[2]*rhs[2][2]; |
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return ans; |
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} |
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// On input, S_super = TransMat * S * transpose(TransMat). |
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void gatherQcal(const SymMat<Double>& S_super, |
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const Double& maxQ, |
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const NRMat<Int4>& transform_hkl, |
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vector<HKL_Q>& qcal_tray |
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{ |
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gatherQcal(S_super, maxQ, qcal_tray); |
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for(vector<HKL_Q>::iterator it=qcal_tray.begin(); it<qcal_tray.end(); it++) |
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it->setHKL( product_hkl(it->HKL(), transform_hkl) ); |
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} |
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} |
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bool associateQcalWithQobs( |
bool associateQcalWithQobs( |
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const vector<HKL_Q>::const_iterator& it_begin, |
const vector<HKL_Q>::const_iterator& it_begin, |
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const vector<HKL_Q>::const_iterator& it_end, |
const vector<HKL_Q>::const_iterator& it_end, |
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Legend:
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Added in v.33 |
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