/* * index.h * * Perform indexing (somehow) * * Copyright © 2012-2016 Deutsches Elektronen-Synchrotron DESY, * a research centre of the Helmholtz Association. * Copyright © 2012 Richard Kirian * Copyright © 2012 Lorenzo Galli * * Authors: * 2010-2016 Thomas White * 2010 Richard Kirian * 2012 Lorenzo Galli * 2015 Kenneth Beyerlein * * This file is part of CrystFEL. * * CrystFEL is free software: you can redistribute it and/or modify * it under the terms of the GNU General Public License as published by * the Free Software Foundation, either version 3 of the License, or * (at your option) any later version. * * CrystFEL is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU General Public License for more details. * * You should have received a copy of the GNU General Public License * along with CrystFEL. If not, see . * */ #ifndef INDEX_H #define INDEX_H #ifdef HAVE_CONFIG_H #include #endif #define INDEXING_DEFAULTS_DIRAX (INDEXING_DIRAX | INDEXING_CHECK_PEAKS \ | INDEXING_CHECK_CELL_COMBINATIONS \ | INDEXING_RETRY) #define INDEXING_DEFAULTS_ASDF (INDEXING_ASDF | INDEXING_CHECK_PEAKS \ | INDEXING_CHECK_CELL_COMBINATIONS \ | INDEXING_RETRY) #define INDEXING_DEFAULTS_MOSFLM (INDEXING_MOSFLM | INDEXING_CHECK_PEAKS \ | INDEXING_CHECK_CELL_COMBINATIONS \ | INDEXING_USE_LATTICE_TYPE \ | INDEXING_USE_CELL_PARAMETERS \ | INDEXING_RETRY) #define INDEXING_DEFAULTS_FELIX (INDEXING_FELIX \ | INDEXING_USE_LATTICE_TYPE \ | INDEXING_USE_CELL_PARAMETERS \ | INDEXING_RETRY) /* Axis check is needed for XDS, because it likes to permute the axes */ #define INDEXING_DEFAULTS_XDS (INDEXING_XDS | INDEXING_USE_LATTICE_TYPE \ | INDEXING_USE_CELL_PARAMETERS \ | INDEXING_CHECK_CELL_AXES \ | INDEXING_CHECK_PEAKS \ | INDEXING_RETRY) /** * IndexingMethod: * @INDEXING_NONE: No indexing to be performed * @INDEXING_DIRAX: Invoke DirAx * @INDEXING_MOSFLM: Invoke MOSFLM * @INDEXING_FELIX: Invoke Felix * @INDEXING_XDS: Invoke XDS * @INDEXING_SIMULATION: Dummy value * @INDEXING_DEBUG: Results injector for debugging * @INDEXING_ASDF: Use in-built "asdf" indexer * @INDEXING_CHECK_CELL_COMBINATIONS: Check linear combinations of unit cell * axes for agreement with given cell. * @INDEXING_CHECK_CELL_AXES: Check unit cell axes for agreement with given * cell, and permute them if necessary. * @INDEXING_CHECK_PEAKS: Check that the peaks can be explained by the indexing * result. * @INDEXING_USE_LATTICE_TYPE: Use lattice type and centering information to * guide the indexing process. * @INDEXING_USE_CELL_PARAMETERS: Use the unit cell parameters to guide the * indexingprocess. * @INDEXING_RETRY: If the indexer doesn't succeed, delete the weakest peaks * and try again. * @INDEXING_MULTI: If the indexer succeeds, delete the peaks explained by the * lattice and try again in the hope of finding another crystal. * * An enumeration of all the available indexing methods. The dummy value * @INDEXING_SIMULATION is used by partial_sim to indicate that no indexing was * performed, and that the indexing results are just from simulation. **/ typedef enum { INDEXING_NONE = 0, /* The core indexing methods themselves */ INDEXING_DIRAX = 1, INDEXING_MOSFLM = 2, INDEXING_FELIX = 4, INDEXING_XDS = 5, INDEXING_SIMULATION = 6, INDEXING_DEBUG = 7, INDEXING_ASDF = 8, /* Bits at the top of the IndexingMethod are flags which modify the * behaviour of the indexer. */ INDEXING_CHECK_CELL_COMBINATIONS = 256, INDEXING_CHECK_CELL_AXES = 512, INDEXING_CHECK_PEAKS = 1024, INDEXING_USE_LATTICE_TYPE = 2048, INDEXING_USE_CELL_PARAMETERS = 4096, INDEXING_RETRY = 8192, INDEXING_MULTI = 16384 } IndexingMethod; /* This defines the bits in "IndexingMethod" which are used to represent the * core of the indexing method */ #define INDEXING_METHOD_MASK (0xff) #ifdef __cplusplus extern "C" { #endif /** * IndexingPrivate: * * This is an opaque data structure containing information needed by the * indexing method. **/ typedef void *IndexingPrivate; extern IndexingMethod *build_indexer_list(const char *str); extern char *indexer_str(IndexingMethod indm); #include "detector.h" #include "cell.h" #include "image.h" extern IndexingPrivate **prepare_indexing(IndexingMethod *indm, UnitCell *cell, struct detector *det, float *ltl, const char *options); extern void index_pattern(struct image *image, IndexingMethod *indms, IndexingPrivate **iprivs); extern void cleanup_indexing(IndexingMethod *indms, IndexingPrivate **privs); #ifdef __cplusplus } #endif #endif /* INDEX_H */