diff options
| -rw-r--r-- | src/ewald.c | 17 |
1 files changed, 17 insertions, 0 deletions
diff --git a/src/ewald.c b/src/ewald.c index d1f47da7..478ca68e 100644 --- a/src/ewald.c +++ b/src/ewald.c @@ -91,6 +91,23 @@ void get_ewald(struct image *image) image->twotheta[x + image->width*y] = twotheta; + if ( (x==0) && (y==(int)image->y_centre) ) { + double s; + s = 1.0e-9*modulus(qx, qy, qz)/2.0; + printf("At left edge: 2theta = %5.3f deg," + " sin(theta)/lambda = %5.3f nm^-1," + " d = %f nm\n", + rad2deg(twotheta), s, 1.0/(2.0*s)); + } + if ( (x==0) && (y==0) ) { + double s; + s = 1.0e-9*modulus(qx, qy, qz)/2.0; + printf("At corner: 2theta = %5.3f deg," + " sin(theta)/lambda = %5.3f nm^-1," + " d = %f nm\n", + rad2deg(twotheta), s, 1.0/(2.0*s)); + } + } } } |