source: trunk/fsource/pyspg.for @ 274

Last change on this file since 274 was 94, checked in by vondreel, 12 years ago

move all fortran to fsource
add gray for readonly textctrl
do polygon insert, show in imageGUI and make mask
fix to ReadPDBphase to use correct crystal to cartesian transformation matrix

File size: 884 bytes
Line 
1C Space group access routines for python
2
3      SUBROUTINE SGFORPY(SPG,LAUE,SGINV,SGLATT,SGUNIQ,SGPOL,
4     1  SGNOPS,SGMTRX,SGTRNS,IERR)
5Cf2py intent(in)  SPG
6Cf2py intent(out) LAUE
7Cf2py intent(out) SGINV
8Cf2py intent(out) SGLATT
9Cf2py intent(out) SGUNIQ
10Cf2py intent(out) SGPOL
11Cf2py intent(out) SGNOPS
12Cf2py intent(out) SGMTRX
13Cf2py intent(out) SGTRNS
14Cf2py intent(out) IERR
15
16      CHARACTER*(20) SPG
17      INTEGER*4     LAUE,SGINV,SGLATT,SGUNIQ,SGNOPS,IERR
18      REAL*4        SGMTRX(24,3,3),SGTRNS(24,3)
19      REAL*4        RT(5,4,25),CEN(3,4)
20      INTEGER*4     JRT(3,5,24)
21
22
23      CALL SGROUPNP(SPG,LAUE,SGUNIQ,SGINV,SGLATT,SGNOPS,SGPOL,JRT,
24     1  CEN,SGNCEN,RT,IERR)
25
26      DO K=1,SGNOPS
27        DO I=1,3
28          DO J=1,3
29            SGMTRX(K,I,J) = JRT(I,J,K)
30            SGTRNS(K,I) = JRT(I,4,K)/12.
31          END DO
32        END DO
33      END DO
34      RETURN
35      END
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