Get rot from xparm: Difference between revisions
Jump to navigation
Jump to search
(Created page with '</pre> ! program to calculate rotations of unit cell axes with respect to detector axes, rotation axis, and beam. ! KD 9/2010 implicit none integer i real rota…') |
No edit summary |
||
Line 1: | Line 1: | ||
< | <pre> | ||
! program to calculate rotations of unit cell axes with respect to detector axes, rotation axis, and beam. | ! program to calculate rotations of unit cell axes with respect to detector axes, rotation axis, and beam. | ||
! KD 9/2010 | ! KD 9/2010 | ||
implicit none | implicit none | ||
integer i | integer i | ||
Line 9: | Line 9: | ||
character axnam*1(3)/'a','b','c'/ | character axnam*1(3)/'a','b','c'/ | ||
open(1,file='XPARM.XDS') | |||
read(1,*) beam,rotation ! 1. record: read ROTATION_AXIS | read(1,*) beam,rotation ! 1. record: read ROTATION_AXIS |
Revision as of 23:59, 11 September 2010
! program to calculate rotations of unit cell axes with respect to detector axes, rotation axis, and beam. ! KD 9/2010 implicit none integer i real rotation(3),beam(3),detector_x(3),detector_y(3),x,xyz(3) real, parameter :: r2d=57.2957795 character axnam*1(3)/'a','b','c'/ open(1,file='XPARM.XDS') read(1,*) beam,rotation ! 1. record: read ROTATION_AXIS print*,' ROTATION_AXIS=',rotation read(1,*) x,beam ! 2. record: read INCIDENT_BEAM_DIRECTION beam=beam*x print*,' normalized INCIDENT_BEAM_DIRECTION=',beam read(1,*) x ! 3. record: read nothing read(1,*) x ! 4. record: read nothing read(1,*) detector_x ! 5. record: read DIRECTION_OF_DETECTOR_X-AXIS print*,' DIRECTION_OF_DETECTOR_X-AXIS=',detector_x read(1,*) detector_y ! 6. record: read DIRECTION_OF_DETECTOR_Y-AXIS print*,' DIRECTION_OF_DETECTOR_Y-AXIS=',detector_y read(1,*) x ! 7. record: read nothing read(1,*) x ! 8. record: read nothing do i=1,3 print*,' ' read(1,*)xyz x=sqrt(xyz(1)**2 + xyz(2)**2 + xyz(3)**2) xyz=xyz/x x=dot_product(xyz,rotation) print*,axnam(i),' axis rotation w.r.t. ROTATION_AXIS: ',acos(x)*r2d x=dot_product(xyz,detector_x) print*,axnam(i),' axis rotation w.r.t. DETECTOR_X-AXIS: ',acos(x)*r2d x=dot_product(xyz,detector_y) print*,axnam(i),' axis rotation w.r.t. DETECTOR_Y-AXIS: ',acos(x)*r2d x=dot_product(xyz,beam) print*,axnam(i),' axis rotation w.r.t. INCIDENT_BEAM DIRECTION:',acos(x)*r2d end do end