diff options
Diffstat (limited to 'src/cell.c')
-rw-r--r-- | src/cell.c | 20 |
1 files changed, 20 insertions, 0 deletions
@@ -1142,3 +1142,23 @@ UnitCell *rotate_cell(UnitCell *in, double omega, double phi, double rot) return out; } + + +int cell_is_sensible(UnitCell *cell) +{ + double a, b, c, al, be, ga; + + cell_get_parameters(cell, &a, &b, &c, &al, &be, &ga); + if ( al + be + ga >= 2.0*M_PI ) return 0; + if ( al + be - ga >= 2.0*M_PI ) return 0; + if ( al - be + ga >= 2.0*M_PI ) return 0; + if ( - al + be + ga >= 2.0*M_PI ) return 0; + if ( al + be + ga <= 0.0 ) return 0; + if ( al + be - ga <= 0.0 ) return 0; + if ( al - be + ga <= 0.0 ) return 0; + if ( - al + be + ga <= 0.0 ) return 0; + if ( isnan(al) ) return 0; + if ( isnan(be) ) return 0; + if ( isnan(ga) ) return 0; + return 1; +} |