diff options
| author | Thomas White <taw@physics.org> | 2012-09-27 12:28:57 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2012-10-02 15:02:12 +0200 |
| commit | 487f375b726fd555ff0c7eab40499201fc2e1d7d (patch) | |
| tree | 28721dbbada5e27e770a60fbae2cb45d0ec1f8f1 /libcrystfel/src/cell-utils.h | |
| parent | 7b31c8f41732b6ca5402afd8fe6cb4d6e185bc48 (diff) | |
Finishing tweaks for uncentering stuff
Today, I have mostly been having my life made difficult by the PDB's invention of "H centering".
Diffstat (limited to 'libcrystfel/src/cell-utils.h')
| -rw-r--r-- | libcrystfel/src/cell-utils.h | 5 |
1 files changed, 4 insertions, 1 deletions
diff --git a/libcrystfel/src/cell-utils.h b/libcrystfel/src/cell-utils.h index 8acf2f85..f92ab22d 100644 --- a/libcrystfel/src/cell-utils.h +++ b/libcrystfel/src/cell-utils.h @@ -53,7 +53,7 @@ extern UnitCell *load_cell_from_pdb(const char *filename); extern int cell_is_sensible(UnitCell *cell); -extern void validate_cell(UnitCell *cell); +extern int validate_cell(UnitCell *cell); extern UnitCell *uncenter_cell(UnitCell *in, UnitCellTransformation **tr); @@ -63,4 +63,7 @@ extern int right_handed(UnitCell *cell); extern const char *str_lattice(LatticeType l); +extern int forbidden_reflection(UnitCell *cell, + signed int h, signed int k, signed int l); + #endif /* CELL_UTILS_H */ |