diff options
Diffstat (limited to 'src/dirax.c')
| -rw-r--r-- | src/dirax.c | 24 |
1 files changed, 12 insertions, 12 deletions
diff --git a/src/dirax.c b/src/dirax.c index 8606ff44..070e714d 100644 --- a/src/dirax.c +++ b/src/dirax.c @@ -83,26 +83,26 @@ static void dirax_parseline(const char *line, struct image *image) /* Parse unit cell vectors as appropriate */ if ( image->dirax_read_cell == 1 ) { /* First row of unit cell values */ - float x1, x2, x3, d; - sscanf(line, "%f %f %f %f %f %f", &d, &d, &d, &x1, &x2, &x3); - cell_set_cartesian_x(image->molecule->cell, - x1*1e-10, x2*1e-10, x3*1e-10); + float ax, ay, az, d; + sscanf(line, "%f %f %f %f %f %f", &d, &d, &d, &ax, &ay, &az); + cell_set_cartesian_a(image->molecule->cell, + ax*1e-10, ay*1e-10, az*1e-10); image->dirax_read_cell++; return; } else if ( image->dirax_read_cell == 2 ) { /* First row of unit cell values */ - float y1, y2, y3, d; - sscanf(line, "%f %f %f %f %f %f", &d, &d, &d, &y1, &y2, &y3); - cell_set_cartesian_y(image->molecule->cell, - y1*1e-10, y2*1e-10, y3*1e-10); + float bx, by, bz, d; + sscanf(line, "%f %f %f %f %f %f", &d, &d, &d, &bx, &by, &bz); + cell_set_cartesian_b(image->molecule->cell, + bx*1e-10, by*1e-10, bz*1e-10); image->dirax_read_cell++; return; } else if ( image->dirax_read_cell == 3 ) { /* First row of unit cell values */ - float z1, z2, z3, d; - sscanf(line, "%f %f %f %f %f %f", &d, &d, &d, &z1, &z2, &z3); - cell_set_cartesian_z(image->molecule->cell, - z1*1e-10, z2*1e-10, z3*1e-10); + float cx, cy, cz, d; + sscanf(line, "%f %f %f %f %f %f", &d, &d, &d, &cx, &cy, &cz); + cell_set_cartesian_c(image->molecule->cell, + cx*1e-10, cy*1e-10, cz*1e-10); STATUS("Read a direct space unit cell from DirAx\n"); /* FIXME: Do something */ image->dirax_read_cell = 0; |