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*DECK NXTTPS
SUBROUTINE NXTTPS(IPRINT,NPIN ,IDGPP ,ITSYM ,DRAPIN)
*
*----------
*
*Purpose:
* To test if pins satisfy required symmetry.
*
*Copyright:
* Copyright (C) 2005 Ecole Polytechnique de Montreal
* This library is free software; you can redistribute it and/or
* modify it under the terms of the GNU Lesser General Public
* License as published by the Free Software Foundation; either
* version 2.1 of the License, or (at your option) any later version.
*
*Author(s):
* G. Marleau.
*
*Parameters: input
* IPRINT print level.
* NPIN number of pins.
* IDGPP pin direction.
* ITSYM flag for symmetries to test.
* DRAPIN pin position/angle/height/radius.
*
*Reference:
* G. Marleau,
* New Geometries Processing in DRAGON: The NXT: Module,
* Report IGE-260, Polytechnique Montreal,
* Montreal, 2005.
*
*----------
*
IMPLICIT NONE
*----
* Subroutine arguments
*----
INTEGER IPRINT,NPIN,IDGPP,ITSYM(4)
DOUBLE PRECISION DRAPIN(-1:4,NPIN)
*----
* Functions
*----
DOUBLE PRECISION XDRCST,PI
*----
* Local parameters
*----
INTEGER IOUT
CHARACTER NAMSBR*6
PARAMETER (IOUT=6,NAMSBR='NXTTPS')
DOUBLE PRECISION DCUTOF,DZERO,DONE,DTWO
PARAMETER (DCUTOF=1.0D-6,DZERO=0.0D0,DONE=1.0D0,DTWO=2.0D0)
*----
* Local variables
*----
INTEGER IPLOC
INTEGER IS,IP,JP,NPIR
DOUBLE PRECISION DNAP,PIO2,TWOPI
INTEGER ITSYR(4)
*----
* Processing starts:
* print routine openning output header if required
* and initialize various parameters.
*----
IPLOC=IPRINT
IF(IPLOC .GE. 100) THEN
WRITE(IOUT,6000) NAMSBR
IF(IPLOC .GE. 1000) THEN
WRITE(IOUT,*) 'Symmetry =',ITSYM
WRITE(IOUT,*) 'Npin =',NPIN
DO IP=1,NPIN
WRITE(IOUT,'(6F20.12)') (DRAPIN(JP,IP),JP=-1,4)
ENDDO
ENDIF
ENDIF
*----
* Rotate symmetry factors for cell directions
*----
DO IS=1,4
ITSYR(IS)=ITSYM(IS)
ENDDO
IF(IDGPP .EQ. 1) THEN
ITSYR(1)=ITSYM(2)
ITSYR(2)=ITSYM(3)
ITSYR(3)=ITSYM(1)
ITSYR(4)=ITSYM(4)
IF(ITSYR(4) .EQ. 1) CALL XABORT(NAMSBR//
> ': X=Y symmetry invalid for pin in direction X')
ELSE IF(IDGPP .EQ. 2) THEN
ITSYR(1)=ITSYM(3)
ITSYR(2)=ITSYM(1)
ITSYR(3)=ITSYM(2)
ITSYR(4)=ITSYM(4)
IF(ITSYR(4) .EQ. 1) CALL XABORT(NAMSBR//
> ': X=Y symmetry invalid for pin in direction Y')
ENDIF
PI=XDRCST('Pi',' ')
PIO2=PI/DTWO
TWOPI=DTWO*PI
*----
* Scan over symmetrization options (in plane only)
*----
DO 100 IS=1,3
IF(ITSYR(IS) .EQ. 1) THEN
*----
* Scan over symmetrized pin
*----
IF(IPLOC .GE. 1000) THEN
WRITE(IOUT,'(A3,1X,I8,I8)') 'IS=',IS,ITSYR(IS)
ENDIF
DO 110 IP=1,NPIN
*----
* Find location of pin after symmetrisation
*----
IF(IS .EQ. 1) THEN
*----
* X symmetry
* Symmetric pin should be at \pi-\varphi
*----
DNAP=PI-DRAPIN(-1,IP)
ELSE IF(IS .EQ. 2) THEN
*----
* Y symmetry
* Symmetric pin should be at -\varphi
*----
DNAP=-DRAPIN(-1,IP)
ELSE IF(IS .EQ. 3) THEN
*----
* Z symmetry
* Symmetric pin should be at \varphi
*----
DNAP=DRAPIN(-1,IP)
ELSE IF(IS .EQ. 4) THEN
*----
* X=Y symmetry
* Symmetric pin should be at \pi/2-\varphi
*----
DNAP=PIO2-DRAPIN(-1,IP)
ENDIF
*----
* Position angle in range 0 to 2*Pi
*----
IF(ABS(DNAP) .LE. DCUTOF) THEN
DNAP=DZERO
ELSE IF(DNAP .GT. DCUTOF) THEN
NPIR=INT((DNAP+DCUTOF)/TWOPI)
DNAP=DNAP-DBLE(NPIR)*TWOPI
ELSE
NPIR=INT((DNAP-DCUTOF)/TWOPI)
DNAP=DNAP-DBLE(NPIR-1)*TWOPI
ENDIF
IF(IPLOC .GE. 1000) THEN
WRITE(IOUT,'(A3,1X,I8,2F20.12)')
> 'IP=',IP,DRAPIN(0,IP),DNAP
ENDIF
IF(DRAPIN(0,IP) .LT. DCUTOF) THEN
*----
* For centered pin, test for radial position only
*----
DO JP=1,NPIN
*----
* Verify if pin coincide
* with symmetrized pin
*----
IF(IPLOC .GE. 1000) THEN
WRITE(IOUT,'(A3,1X,I8,3F20.12)')
> 'JP=',JP,DRAPIN(0,JP),DRAPIN(-1,JP),
> ABS(DRAPIN(0,IP)-DRAPIN(0,JP))
ENDIF
IF(ABS(DRAPIN(0,IP)-DRAPIN(0,JP)) .LT. DCUTOF)
> GO TO 115
ENDDO
*----
* no pin coincide, symmetry not satisfied, abort
*----
CALL XABORT(NAMSBR//': Symmetric pin not found (C)')
ELSE
*----
* For pin not centered, test for angular and radial position
*----
DO JP=1,NPIN
*----
* Verify if pin coincide
* with symmetrized pin
*----
IF(IPLOC .GE. 1000) THEN
WRITE(IOUT,'(A3,1X,I8,4F20.8)')
> 'JP=',JP,DRAPIN(0,JP),DRAPIN(-1,JP),
> ABS(DRAPIN(0,IP)-DRAPIN(0,JP)),
> ABS(DNAP-DRAPIN(-1,JP))
ENDIF
IF(ABS(DRAPIN(0,IP)-DRAPIN(0,JP)) .LT. DCUTOF) THEN
IF(ABS(DNAP-DRAPIN(-1,JP)) .LT. DCUTOF) GO TO 115
ENDIF
ENDDO
*----
* no pin coincide, symmetry not satisfied, abort
*----
CALL XABORT(NAMSBR//': Symmetric pin not found (O-C)')
ENDIF
115 CONTINUE
110 CONTINUE
ENDIF
100 CONTINUE
*----
* Processing finished:
* print routine closing output header if required
* and return
*----
IF(IPLOC .GE. 100) THEN
WRITE(IOUT,6001) NAMSBR
ENDIF
RETURN
*----
* Output formats
*----
6000 FORMAT('(* Output from --',A6,'-- follows ')
6001 FORMAT(' Output from --',A6,'-- completed *)')
END
|
