From 24f509f49c8be6191c0b635b379485574f976a68 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Wed, 20 Jun 2018 10:00:53 +0200 Subject: Formatting fussiness --- libcrystfel/src/xgandalf.c | 68 ++++++++++++++++++++++++---------------------- 1 file changed, 35 insertions(+), 33 deletions(-) (limited to 'libcrystfel/src/xgandalf.c') diff --git a/libcrystfel/src/xgandalf.c b/libcrystfel/src/xgandalf.c index 52d86413..9a2e54ec 100644 --- a/libcrystfel/src/xgandalf.c +++ b/libcrystfel/src/xgandalf.c @@ -60,6 +60,7 @@ struct xgandalf_private_data { static void reduceCell(UnitCell* cell); static void makeRightHanded(UnitCell* cell); + int run_xgandalf(struct image *image, void *ipriv) { struct xgandalf_private_data *xgandalf_private_data = @@ -130,9 +131,9 @@ int run_xgandalf(struct image *image, void *ipriv) return goodLatticesCount; } -void *xgandalf_prepare(IndexingMethod *indm, - UnitCell *cell, - struct xgandalf_options *xgandalf_opts) + +void *xgandalf_prepare(IndexingMethod *indm, UnitCell *cell, + struct xgandalf_options *xgandalf_opts) { struct xgandalf_private_data *xgandalf_private_data = malloc(sizeof(struct xgandalf_private_data)); @@ -146,6 +147,7 @@ void *xgandalf_prepare(IndexingMethod *indm, xgandalf_opts->grad_desc_iterations; if (*indm & INDEXING_USE_CELL_PARAMETERS) { + xgandalf_private_data->cellTemplate = cell; UnitCell* primitiveCell = uncenter_cell(cell, NULL); @@ -175,39 +177,35 @@ void *xgandalf_prepare(IndexingMethod *indm, .ax = ax * 1e10, .ay = ay * 1e10, .az = az * 1e10, .bx = bx * 1e10, .by = by * 1e10, .bz = bz * 1e10, .cx = cx * 1e10, .cy = cy * 1e10, .cz = cz * 1e10 }; - xgandalf_private_data->sampleRealLatticeReduced_A = - sampleRealLatticeReduced_A; + xgandalf_private_data->sampleRealLatticeReduced_A = sampleRealLatticeReduced_A; ExperimentSettings *experimentSettings = ExperimentSettings_new(FAKE_BEAM_ENERGY, - FAKE_DETECTOR_DISTANCE, - FAKE_DETECTOR_RADIUS, - FAKE_DIVERGENCE_ANGLE_DEG, - FAKE_NON_MONOCHROMATICITY, - sampleReciprocalLattice_1_per_A, - tolerance, - FAKE_REFLECTION_RADIUS); + FAKE_DETECTOR_DISTANCE, + FAKE_DETECTOR_RADIUS, + FAKE_DIVERGENCE_ANGLE_DEG, + FAKE_NON_MONOCHROMATICITY, + sampleReciprocalLattice_1_per_A, + tolerance, + FAKE_REFLECTION_RADIUS); xgandalf_private_data->indexer = IndexerPlain_new(experimentSettings); IndexerPlain_setSamplingPitch(xgandalf_private_data->indexer, samplingPitch); - IndexerPlain_setGradientDescentIterationsCount( - xgandalf_private_data->indexer, - gradientDescentIterationsCount); + IndexerPlain_setGradientDescentIterationsCount(xgandalf_private_data->indexer, + gradientDescentIterationsCount); if (xgandalf_opts->no_deviation_from_provided_cell) { - IndexerPlain_setRefineWithExactLattice( - xgandalf_private_data->indexer, - 1); + IndexerPlain_setRefineWithExactLattice(xgandalf_private_data->indexer, 1); } ExperimentSettings_delete(experimentSettings); cell_free(primitiveCell); - } - else { + + } else { + Lattice_t sampleRealLatticeReduced_A = { 0, 0, 0, 0, 0, 0, 0, 0, 0 }; - xgandalf_private_data->sampleRealLatticeReduced_A = - sampleRealLatticeReduced_A; + xgandalf_private_data->sampleRealLatticeReduced_A = sampleRealLatticeReduced_A; ExperimentSettings *experimentSettings = ExperimentSettings_new_nolatt(FAKE_BEAM_ENERGY, @@ -222,29 +220,28 @@ void *xgandalf_prepare(IndexingMethod *indm, xgandalf_private_data->indexer = IndexerPlain_new(experimentSettings); IndexerPlain_setSamplingPitch(xgandalf_private_data->indexer, samplingPitch); - IndexerPlain_setGradientDescentIterationsCount( - xgandalf_private_data->indexer, - gradientDescentIterationsCount); + IndexerPlain_setGradientDescentIterationsCount(xgandalf_private_data->indexer, + gradientDescentIterationsCount); ExperimentSettings_delete(experimentSettings); } /* Flags that XGANDALF knows about */ - *indm &= INDEXING_METHOD_MASK - | INDEXING_USE_CELL_PARAMETERS; + *indm &= INDEXING_METHOD_MASK | INDEXING_USE_CELL_PARAMETERS; return xgandalf_private_data; } + void xgandalf_cleanup(void *pp) { - struct xgandalf_private_data *xgandalf_private_data = - (struct xgandalf_private_data*) pp; + struct xgandalf_private_data *xgandalf_private_data = pp; freeReciprocalPeaks(xgandalf_private_data->reciprocalPeaks_1_per_A); IndexerPlain_delete(xgandalf_private_data->indexer); } + static void reduceCell(UnitCell *cell) { double ax, ay, az, bx, by, bz, cx, cy, cz; @@ -261,19 +258,21 @@ static void reduceCell(UnitCell *cell) makeRightHanded(cell); } + static void makeRightHanded(UnitCell *cell) { double ax, ay, az, bx, by, bz, cx, cy, cz; cell_get_cartesian(cell, &ax, &ay, &az, &bx, &by, &bz, &cx, &cy, &cz); - if (!right_handed(cell)) { + if ( !right_handed(cell) ) { cell_set_cartesian(cell, -ax, -ay, -az, -bx, -by, -bz, -cx, -cy, -cz); } } + const char *xgandalf_probe(UnitCell *cell) { - return "xgandalf"; + return "xgandalf"; } #else @@ -284,21 +283,24 @@ int run_xgandalf(struct image *image, void *ipriv) return 0; } + void *xgandalf_prepare(IndexingMethod *indm, UnitCell *cell, - struct xgandalf_options *xgandalf_opts) + struct xgandalf_options *xgandalf_opts) { ERROR("This copy of CrystFEL was compiled without XGANDALF support.\n"); ERROR("To use XGANDALF indexing, recompile with XGANDALF.\n"); return NULL; } + void xgandalf_cleanup(void *pp) { } + const char *xgandalf_probe(UnitCell *cell) { - return NULL; + return NULL; } #endif // HAVE_XGANDALF -- cgit v1.2.3