- Added brute force indexing support to ubcalc
- Added calculation of UB from 3 reflections to ubcalc - Added calculation of lattice constants from UB to ubcalc - Some fixes in stdscan in order to make the scripted scan work
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9
cell.h
9
cell.h
@ -14,7 +14,7 @@
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* error codes
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*/
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#define REC_NO_VOLUME -100
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#define CELLNOMEMORY -101
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/**
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* lattice parameters: either reciprocal or direct
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*/
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@ -43,4 +43,11 @@
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* @return 1 on success, an negative error code else
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*/
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int calculateBMatrix(lattice direct, MATRIX B);
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/**
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* calculate the cell constants from a UB matrix
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* @param UB The input UB matrix.
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* @param direct A pointer to a structure holding the new cell constants
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* @return 1 on success, an error c ode < 0 on failure
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*/
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int cellFromUB(MATRIX UB, plattice direct);
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#endif
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