Get rot from xparm: Difference between revisions
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xyz=xyz/x | xyz=xyz/x | ||
x=dot_product(xyz,rotation) | x=dot_product(xyz,rotation) | ||
print*,axnam(i),' axis | print*,'angle between ',axnam(i),' axis and ROTATION_AXIS: ',acos(x)*r2d | ||
x=dot_product(xyz,detector_x) | x=dot_product(xyz,detector_x) | ||
print*,axnam(i),' axis | print*,'angle between ',axnam(i),' axis and DETECTOR_X-AXIS: ',acos(x)*r2d | ||
x=dot_product(xyz,detector_y) | x=dot_product(xyz,detector_y) | ||
print*,axnam(i),' axis | print*,'angle between ',axnam(i),' axis and DETECTOR_Y-AXIS: ',acos(x)*r2d | ||
x=dot_product(xyz,beam) | x=dot_product(xyz,beam) | ||
print*,axnam(i),' axis | print*,'angle between ',axnam(i),' axis and INCIDENT_BEAM DIRECTION:',acos(x)*r2d | ||
end do | end do | ||
end | end | ||
Revision as of 00:04, 12 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*,'angle between ',axnam(i),' axis and ROTATION_AXIS: ',acos(x)*r2d
x=dot_product(xyz,detector_x)
print*,'angle between ',axnam(i),' axis and DETECTOR_X-AXIS: ',acos(x)*r2d
x=dot_product(xyz,detector_y)
print*,'angle between ',axnam(i),' axis and DETECTOR_Y-AXIS: ',acos(x)*r2d
x=dot_product(xyz,beam)
print*,'angle between ',axnam(i),' axis and INCIDENT_BEAM DIRECTION:',acos(x)*r2d
end do
end