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Comparing trunk/OOPSE_old/src/mdtools/libmdCode/vector_class.F90 (file contents):
Revision 315 by chuckv, Tue Mar 11 20:15:18 2003 UTC vs.
Revision 344 by chuckv, Fri Mar 14 18:34:39 2003 UTC

# Line 3 | Line 3
3   !! Fortran 95 Vector class module. Similar to java.util vector class.
4   !!
5   !! The Vector class implements a growable array of objects. Like an array,
6 < !! it contains components that can be accessed using an integer index. However,
7 < !! the size of a Vector can grow as needed to accommodate
6 > !! it contains components that can be accessed using an integer index.
7 > !! However, the size of a Vector can grow as needed to accommodate
8   !! adding and removing items after the Vector has been created.
9 < !! Each vector tries to optimize storage management by maintaining a capacity and a
10 < !! capacityIncrement. The capacity is always at least as large as the vector size;
9 > !! Each vector tries to optimize storage management by maintaining a
10 > !! capacity and a capacityIncrement. The capacity is always at least as
11 > !! large as the vector size;
12   !! it is usually larger because as components are added to the vector,
13   !! the vector's storage increases in chunks the size of capacityIncrement.
14 < !! An application can increase the capacity of a vector before inserting a large number
15 < !! of components; this reduces the amount of incremental reallocation.
14 > !! An application can increase the capacity of a vector before inserting a
15 > !! large number of components; this reduces the amount of incremental
16 > !! reallocation.
17   !!
18   !!
19   !! @author J. Daniel Gezelter
20   !! @author Charles F. Vardeman II
21   !! @author Matthew Meineke
22 < !! @version $Id: vector_class.F90,v 1.4 2003-03-11 20:15:18 chuckv Exp $, $Date: 2003-03-11 20:15:18 $, $Name: not supported by cvs2svn $, $Revision: 1.4 $
22 > !! @version $Id: vector_class.F90,v 1.7 2003-03-14 18:34:39 chuckv Exp $, $Date: 2003-03-14 18:34:39 $, $Name: not supported by cvs2svn $, $Revision: 1.7 $
23  
24   module Vector_class
25    
# Line 39 | Line 41 | module Vector_class
41    integer, parameter :: integer_data_type = 2
42    integer, parameter :: real_data_type = 3
43  
42  integer :: dp = selected_real_kind(8)
44   !!
45    type, public :: Vector
46       PRIVATE
# Line 54 | Line 55 | module Vector_class
55       integer, pointer :: ElementData(:) => null()
56       character(len=100), pointer :: PropertyDescriptions(:) => null()
57       integer, pointer :: PropertyDataType(:) => null()
58 <     real(kind = dp), pointer :: realElementProperties(:,:) => null()
58 >     real(kind = 8), pointer :: realElementProperties(:,:) => null()
59       integer, pointer :: integerElementProperties(:,:) => null()
60       logical, pointer :: logicalElementProperties(:,:) => null()
61    end type Vector
# Line 83 | Line 84 | module Vector_class
84    interface getMatchingElementList
85       module procedure getMatchingElementList1i
86       module procedure getMatchingElementList2i
87 +     module procedure getMatchingElementList1l
88 +     module procedure getMatchingElementList2l
89    end interface
90  
91    interface getFirstMatchingElement
92       module procedure getFirstMatchingElement1i
93       module procedure getFirstMatchingElement2i
94 +     module procedure getFirstMatchingElement1l
95 +     module procedure getFirstMatchingElement2l
96    end interface
97   contains
98  
# Line 178 | Line 183 | contains
183      return
184    end function getFirstMatchingElement2i
185  
186 +  function getFirstMatchingElement1l(this, MatchName, MatchValue) result (id)
187 +    type(Vector), pointer :: this
188 +    character(len=*), intent(in) :: MatchName
189 +    logical, intent(in) :: MatchValue
190 +    integer :: id
191 +    integer :: i, j
192 +    
193 +    id = 0
194  
195 +    do i = 1, this%propertyCount
196 +       if (this%PropertyDescriptions(i) == MatchName) then
197 +          do j = 1, this%elementCount
198 +             if (this%logicalElementProperties(j, i) .eqv. MatchValue) then
199 +                id = j
200 +                return
201 +             endif
202 +          enddo
203 +       endif
204 +    enddo
205 +    return
206 +  end function getFirstMatchingElement1l
207 +
208 +  function getFirstMatchingElement2l(this, MatchName1, MatchValue1, &
209 +       MatchName2, MatchValue2) result (id)
210 +    type(Vector), pointer :: this
211 +    character(len=*), intent(in) :: MatchName1, MatchName2
212 +    logical, intent(in) :: MatchValue1, MatchValue2
213 +    integer :: id
214 +    integer :: i, j, MatchID1, MatchID2
215 +    logical :: found1 = .false.
216 +    logical :: found2 = .false.
217 +
218 +    id = 0
219 +    ! first figure out which properties we are using to do the match:
220 +
221 +    do i = 1, this%propertyCount
222 +       if (this%PropertyDescriptions(i) == MatchName1) then
223 +          MatchID1 = i
224 +          found1 = .true.
225 +       endif
226 +       if (this%PropertyDescriptions(i) == MatchName2) then
227 +          MatchID2 = i
228 +          found2 = .true.
229 +       endif
230 +
231 +       if (found1.and.found2) then
232 +          do j = 1, this%elementCount
233 +             if ((this%logicalElementProperties(j, MatchID1).eqv.MatchValue1) &
234 +                  .and. &
235 +                  (this%logicalElementProperties(j, MatchID2).eqv.MatchValue2)) &
236 +                  then
237 +                id = j
238 +                return
239 +             endif
240 +          enddo
241 +       endif
242 +    end do
243 +    
244 +    return
245 +  end function getFirstMatchingElement2l
246 +
247    subroutine getMatchingElementList1i(this, MatchName, MatchValue, &
248         nMatches, MatchList)
249      type(Vector), pointer :: this
250      character(len=*), intent(in) :: MatchName
251      integer, intent(in) :: MatchValue
252      integer, intent(out) :: nMatches
253 <    integer, pointer :: MatchList
253 >    integer, pointer :: MatchList(:)
254      integer :: i
255  
256      ! first figure out which property we are using to do the match:
257  
258      do i = 1, this%propertyCount
259         if (this%PropertyDescriptions(i) == MatchName) then
260 <          call getMatches1(this, i, MatchValue, MatchList)
260 >          call getAllMatches1i(this, i, MatchValue, nMatches, MatchList)
261            return
262         endif
263      enddo
# Line 230 | Line 295 | contains
295      enddo
296      return
297    end subroutine getMatchingElementList2i
298 +
299 +  subroutine getMatchingElementList1l(this, MatchName, MatchValue, &
300 +       nMatches, MatchList)
301 +    type(Vector), pointer :: this
302 +    character(len=*), intent(in) :: MatchName
303 +    logical, intent(in) :: MatchValue
304 +    integer, intent(out) :: nMatches
305 +    integer, pointer :: MatchList(:)
306 +    integer :: i
307 +
308 +    ! first figure out which property we are using to do the match:
309 +
310 +    do i = 1, this%propertyCount
311 +       if (this%PropertyDescriptions(i) == MatchName) then
312 +          call getAllMatches1l(this, i, MatchValue, nMatches, MatchList)
313 +          return
314 +       endif
315 +    enddo
316 +    return
317 +  end subroutine getMatchingElementList1l
318 +
319 +  subroutine getMatchingElementList2l(this, MatchName1, MatchValue1, &
320 +       MatchName2, MatchValue2, nMatches, MatchList)
321 +    type(Vector), pointer :: this
322 +    character(len=*), intent(in) :: MatchName1, MatchName2
323 +    logical, intent(in)  :: MatchValue1, MatchValue2
324 +    integer, intent(out)  :: nMatches
325 +    integer, pointer :: MatchList(:)
326 +    integer :: i, MatchID1, MatchID2
327 +    logical :: found1 = .false.
328 +    logical :: found2 = .false.
329      
330 +    ! first figure out which properties we are using to do the match:
331 +    
332 +    do i = 1, this%propertyCount
333 +       if (this%PropertyDescriptions(i) == MatchName1) then
334 +          MatchID1 = i
335 +          found1 = .true.
336 +       endif
337 +       if (this%PropertyDescriptions(i) == MatchName2) then
338 +          MatchID2 = i
339 +          found2 = .true.
340 +       endif
341 +      
342 +       if (found1.and.found2) then
343 +          call getAllMatches2l(this, MatchID1, MatchValue1, &
344 +               MatchID2, MatchValue2, nMatches, MatchList)
345 +          return
346 +       endif
347 +    enddo
348 +    return
349 +  end subroutine getMatchingElementList2l
350 +    
351    subroutine getAllMatches1i(this, MatchID, MatchValue, nMatches, MatchList)
352      type(Vector), pointer :: this
353      integer, intent(in) :: MatchID
# Line 274 | Line 391 | contains
391         endif
392      enddo
393    end subroutine getAllMatches2i
394 +
395 +  subroutine getAllMatches1l(this, MatchID, MatchValue, nMatches, MatchList)
396 +    type(Vector), pointer :: this
397 +    integer, intent(in) :: MatchID
398 +    logical, intent(in) :: MatchValue
399 +    integer, pointer :: MatchList(:)
400 +    integer, intent(out) :: nMatches
401 +    integer :: error, i
402 +    
403 +    allocate(MatchList(this%elementCount), stat=error)
404 +    if(error .ne. 0) write(*,*) 'Could not allocate MatchList!'
405 +    
406 +    nMatches = 0
407 +    
408 +    do i = 1, this%elementCount
409 +       if (this%logicalElementProperties(i, MatchID).eqv.MatchValue) then
410 +          nMatches = nMatches + 1
411 +          MatchList(nMatches) = i
412 +       endif
413 +    enddo
414 +  end subroutine getAllMatches1l
415 +
416 +  subroutine getAllMatches2l(this, MatchID1, MatchValue1, &
417 +       MatchID2, MatchValue2, nMatches, MatchList)
418 +    type(Vector), pointer :: this
419 +    integer, intent(in) :: MatchID1, MatchID2
420 +    logical, intent(in) :: MatchValue1, MatchValue2
421 +    integer, pointer :: MatchList(:)
422 +    integer, intent(out) :: nMatches
423 +    integer :: error, i
424 +    
425 +    allocate(MatchList(this%elementCount), stat=error)
426 +    if(error .ne. 0) write(*,*) 'Could not allocate MatchList!'
427      
428 +    nMatches = 0
429 +    
430 +    do i = 1, this%elementCount
431 +       if ((this%logicalElementProperties(i, MatchID1).eqv.MatchValue1) .and. &
432 +            (this%logicalElementProperties(i, MatchID2).eqv.MatchValue2)) then
433 +          nMatches = nMatches + 1
434 +          MatchList(nMatches) = i
435 +       endif
436 +    enddo
437 +  end subroutine getAllMatches2l
438 +  
439      
440    subroutine getElementPropertyReal(this, id, PropName, pv)
441      type(Vector), pointer :: this
442      integer :: id, whichprop
443      character(len=*) :: PropName
444 <    real( kind = dp ) :: pv
444 >    real( kind = 8 ) :: pv
445      
446      whichprop = getPropertyIndex(this, PropName)
447      if (whichprop .eq. 0 ) then
448 <       write(*,*) 'unknown property!'
448 >       write(*,*) 'unknown property! ', PropName
449         pv = 0.0
450      else
451         if (this%PropertyDataType(whichprop) .ne. real_data_type) then
452 <          write(*,*) 'wrong data type for this property!'
452 >          write(*,*) 'Property! ', PropName, " is not real data type."
453            pv = 0.0
454         else
455            pv = this%realElementProperties(id, whichprop)
# Line 304 | Line 465 | contains
465      
466      whichprop = getPropertyIndex(this, PropName)
467      if (whichprop .eq. 0 ) then
468 <       write(*,*) 'unknown property!'
468 >       write(*,*) 'unknown property! ', PropName
469         pv = 0
470      else
471         if (this%PropertyDataType(whichprop) .ne. integer_data_type) then
472 <          write(*,*) 'wrong data type for this property!'
472 >          write(*,*) 'Property! ', PropName, " is not integer data type."
473            pv = 0
474         else
475            pv = this%integerElementProperties(id, whichprop)
# Line 324 | Line 485 | contains
485      
486      whichprop = getPropertyIndex(this, PropName)
487      if (whichprop .eq. 0 ) then
488 <       write(*,*) 'unknown property!'
488 >       write(*,*) 'unknown property! ', PropName
489         pv = .false.
490      else
491         if (this%PropertyDataType(whichprop) .ne. logical_data_type) then
492 <          write(*,*) 'wrong data type for this property!'
492 >          write(*,*) 'Property! ', PropName, " is not logical data type."
493            pv = .false.
494         else
495            pv = this%logicalElementProperties(id, whichprop)
# Line 340 | Line 501 | contains
501      type(Vector), pointer :: this
502      integer :: id, i
503      character(len=*) :: PropName
504 <    
504 >
505      do i = 1, this%propertyCount
506         if (this%PropertyDescriptions(i) == PropName) then
507            id = i
# Line 357 | Line 518 | contains
518      integer :: newCapacity, newPropCap
519      logical :: resizeFlag = .false.
520  
521 +
522 + !  first time: allocate a new vector with default size
523 +    if (.not. associated(this)) then
524 +       this => initialize()
525 +    endif
526 +
527      oldCapacity = size(this%ElementData)
528 <    oldPropCap = size(this%PropertyDescriptions)
528 >    oldPropCap  = size(this%PropertyDescriptions)
529  
530 +    
531      if (minCapacity > oldCapacity) then
532         if (this%capacityIncrement .gt. 0) then
533            newCapacity = oldCapacity + this%capacityIncrement
# Line 371 | Line 539 | contains
539         endif
540         resizeFlag = .true.
541      endif
542 <
542 >    
543 > !!! newCapacity is not set.....
544      if (minPropCap > oldPropCap) then
545         if (this%PropertyIncrement .gt. 0) then
546            newPropCap = oldPropCap + this%PropertyIncrement
# Line 383 | Line 552 | contains
552         endif
553         resizeFlag = .true.
554      endif
555 <      
555 >    
556      if (resizeFlag) then
557 <       that = initialize(newCapacity, newPropCap, &
557 >       write(*,*) "Resizing to new capacity: ",newCapacity
558 >       that => initialize(newCapacity, newPropCap, &
559              this%capacityIncrement, this%PropertyIncrement)      
560         call copyAllData(this, that)
561         deallocate(this)
# Line 429 | Line 599 | contains
599    function addElement(this) result (id)
600      type(Vector), pointer :: this
601      integer :: id
602 <    call ensureCapacityHelper(this, this%elementCount + 1, this%PropertyCount)
603 <    this%elementCount = this%elementCount + 1
604 <    this%elementData = this%elementCount
605 <    id = this%elementCount
602 >    integer :: error
603 >
604 >    if (.not. associated(this)) then
605 >       call ensureCapacityHelper(this,1,0)
606 >    else
607 >       call ensureCapacityHelper(this, this%elementCount + 1, this%PropertyCount)
608 >    end if
609 >
610 >       this%elementCount = this%elementCount + 1
611 >       this%elementData = this%elementCount
612 >       id = this%elementCount
613 >
614 >
615    end function addElement
616  
617    recursive subroutine setElementPropertyReal(this, id, PropName, PropValue)
618      type(Vector), pointer :: this
619      integer :: id, i
620      character(len=*), intent(in) :: PropName
621 <    real( kind = dp ), intent(in) :: PropValue
622 <    logical :: foundit = .false.
621 >    real( kind = 8 ), intent(in) :: PropValue
622 >    logical :: foundit
623 >    
624 >    foundit = .false.
625 >
626      ! first make sure that the PropName isn't in the list of known properties:
627 +
628      do i = 1, this%propertyCount
629         if (PropName == this%PropertyDescriptions(i)) then
630            foundit = .true.
631            this%realElementProperties(id,i) = PropValue
632         endif
633      enddo
634 <    
634 >
635      if (.not.foundit) then
636 <       call addPropertyToVector(this, PropName, real_data_type)
637 <       call setElementPropertyReal(this, id, PropName, PropValue)
636 >         call addPropertyToVector(this, PropName, real_data_type)
637 >         call setElementPropertyReal(this, id, PropName, PropValue)
638      endif
639    end subroutine setElementPropertyReal
640  
# Line 460 | Line 643 | contains
643      integer :: id, i
644      character(len=*), intent(in) :: PropName
645      integer, intent(in) :: PropValue
646 <    logical :: foundit = .false.
646 >    logical :: foundit
647 >
648 >    foundit = .false.
649      ! first make sure that the PropName isn't in the list of known properties:
650      do i = 1, this%propertyCount
651         if (PropName == this%PropertyDescriptions(i)) then
# Line 480 | Line 665 | contains
665      integer :: id, i
666      character(len=*), intent(in) :: PropName
667      logical, intent(in) :: PropValue
668 <    logical :: foundit = .false.
668 >    logical :: foundit
669 >
670 >    foundit = .false.
671      ! first make sure that the PropName isn't in the list of known properties:
672      do i = 1, this%propertyCount
673         if (PropName == this%PropertyDescriptions(i)) then
# Line 499 | Line 686 | contains
686      type(Vector), pointer :: this
687      character(len=*), intent(in) :: PropName
688      integer data_type
689 <    call ensureCapacityHelper(this, this%elementCount, this%propertyCount + 1)
690 <    this%propertyCount = this%propertyCount + 1
691 <    this%PropertyDescriptions(this%propertyCount) = PropName
692 <    this%PropertyDataType(this%propertyCount) = data_type
693 <  end subroutine addPropertyToVector
689 >    
690 >     call ensureCapacityHelper(this, this%elementCount, this%propertyCount + 1)
691 >     this%propertyCount = this%propertyCount + 1
692 >     this%PropertyDescriptions(this%propertyCount) = PropName
693 >     this%PropertyDataType(this%propertyCount) = data_type
694 >   end subroutine addPropertyToVector
695    
696    function initialize_0i() result(this)
697      type(Vector), pointer :: this
698 <    nullify(this)
511 <    this = initialize_2i(10, 5)
698 >    this => initialize_2i(10, 5)
699    end function initialize_0i
700  
701    function initialize_1i(nprop) result(this)
702      integer, intent(in) :: nprop
703      type(Vector), pointer :: this
704 <    nullify(this)
518 <    this = initialize_2i(10, nprop)
704 >    this => initialize_2i(10, nprop)
705    end function initialize_1i
706  
707    function initialize_2i(cap, nprop) result(this)
708      integer, intent(in) :: cap, nprop
709      type(Vector), pointer :: this
710 <    nullify(this)
525 <    this = initialize_4i(cap, nprop, 0, 0)
710 >    this => initialize_4i(cap, nprop, 0, 0)
711    end function initialize_2i
712  
713    function initialize_3i(cap, nprop, capinc) result(this)
714      integer, intent(in) :: cap, nprop, capinc
715      type(Vector), pointer :: this
716 <    nullify(this)
532 <    this = initialize_4i(cap, nprop, capinc, 0)
716 >    this => initialize_4i(cap, nprop, capinc, 0)
717    end function initialize_3i
718  
719    function initialize_4i(cap, nprop, capinc, propinc) result(this)
720      integer, intent(in) :: cap, nprop, capinc, propinc
721      integer :: error
722      type(Vector), pointer :: this
723 +
724      nullify(this)
725 <    if (cap < 0) then
725 >
726 >     if (cap < 0) then
727         write(*,*) 'Bogus Capacity:', cap
728 <       stop
728 >       return
729      endif
730      if (nprop < 0) then
731         write(*,*) 'Bogus Number of Properties:', nprop
732 <       stop
732 >       return
733      endif
734 <
735 <    allocate(this, stat=error)
736 <    if(error .ne. 0) write(*,*) 'Could not allocate Vector!'
737 <
738 <    this%initialCapacity = cap
739 <    this%initialProperties = nprop
740 <    this%capacityIncrement = capinc
555 <    this%propertyIncrement = propinc
556 <
734 >    
735 >    allocate(this,stat=error)
736 >    if ( error /= 0 ) then
737 >       write(*,*) 'Could not allocate Vector!'
738 >       return
739 >    end if
740 >
741      allocate(this%elementData(this%initialCapacity), stat=error)
742      if(error /= 0) write(*,*) 'Could not allocate elementData!'
743 <    
743 >
744 >
745      allocate(this%PropertyDescriptions(this%initialProperties), &
746           stat=error)
747      if(error /=  0) write(*,*) 'Could not allocate PropertyDescriptions!'
748  
749 +    allocate(this%PropertyDataType(this%initialProperties), &
750 +         stat=error)
751 +    if(error /=  0) write(*,*) 'Could not allocate PropertyDataType!'
752 +    
753      allocate(this%integerElementProperties(this%initialCapacity, &
754           this%initialProperties), stat=error)
755      if(error /= 0) write(*,*) 'Could not allocate integerElementProperties!'
# Line 572 | Line 761 | contains
761      allocate(this%logicalElementProperties(this%initialCapacity, &
762           this%initialProperties), stat=error)
763      if(error .ne. 0) write(*,*) 'Could not allocate logicalElementProperties!'
575  end function initialize_4i
576    
764  
578    
765  
766  
767 +
768 +    this%initialCapacity = cap
769 +    this%initialProperties = nprop
770 +    this%capacityIncrement = capinc
771 +    this%propertyIncrement = propinc
772  
773 +
774 +  end function initialize_4i
775 +    
776 +  
777 +  
778   end module Vector_class

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