Get rot from xparm: Difference between revisions

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Get rot from xparm (view source)

Revision as of 10:51, 11 June 2014

215 bytes added , 11 June 2014

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-</pre>
+Attention: this program needs to be modified to read the "new format" (since 2013) of XPARM.XDS.
-! program to calculate rotations of unit cell axes with respect to detector axes, rotation axis, and beam.
+To be compiled with e.g.
-! KD 9/2010
+ gfortran -C get_rot_from_xparm.f90 -o get_rot_from_xparm
+<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 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'/
+       character*1 :: axnam(3)=(/'a','b','c'/)
-	open(1,file='XPARM.XDS')
+      open(1,file='XPARM.XDS')
        read(1,*) beam,rotation ! 1. record: read ROTATION_AXIS
@@ Line 31: / Line 36: @@
          xyz=xyz/x
          x=dot_product(xyz,rotation)
-         print*,axnam(i),' axis rotation w.r.t. ROTATION_AXIS:          ',acos(x)*r2d
+         print*,'angle between ',axnam(i),' axis and 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
+         print*,'angle between ',axnam(i),' axis and 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
+         print*,'angle between ',axnam(i),' axis and 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
+         print*,'angle between ',axnam(i),' axis and INCIDENT_BEAM DIRECTION:',acos(x)*r2d
        end do
 end