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-rw-r--r--libcrystfel/src/cell.h22
1 files changed, 22 insertions, 0 deletions
diff --git a/libcrystfel/src/cell.h b/libcrystfel/src/cell.h
index bd2719dd..851237cf 100644
--- a/libcrystfel/src/cell.h
+++ b/libcrystfel/src/cell.h
@@ -48,6 +48,17 @@ struct rvec
double w;
};
+typedef enum
+{
+ L_TRICLINIC,
+ L_MONOCLINIC,
+ L_ORTHORHOMBIC,
+ L_TETRAGONAL,
+ L_RHOMBOHEDRAL,
+ L_HEXAGONAL,
+ L_CUBIC
+} LatticeType;
+
/**
* UnitCell:
@@ -108,6 +119,15 @@ extern const char *cell_get_pointgroup(UnitCell *cell);
extern const char *cell_get_spacegroup(UnitCell *cell);
+extern LatticeType cell_get_lattice_type(UnitCell *cell);
+extern void cell_set_lattice_type(UnitCell *cell, LatticeType lattice_type);
+
+extern char cell_get_centering(UnitCell *cell);
+extern void cell_set_centering(UnitCell *cell, char centering);
+
+extern char cell_get_unique_axis(UnitCell *cell);
+extern void cell_set_unique_axis(UnitCell *cell, char unique_axis);
+
extern double resolution(UnitCell *cell,
signed int h, signed int k, signed int l);
@@ -126,4 +146,6 @@ extern UnitCell *load_cell_from_pdb(const char *filename);
extern int cell_is_sensible(UnitCell *cell);
+extern void validate_cell(UnitCell *cell);
+
#endif /* CELL_H */