X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_Eshel%2Fmisc.f;fp=source%2Funres%2Fsrc_Eshel%2Fmisc.f;h=e189839ca983822bd8f6240c17d6283bbb0c8d9a;hb=7308760ff07636ef6b1ee28d8c3a67a23c14b34b;hp=0000000000000000000000000000000000000000;hpb=9a54ab407f6d0d9d564d52763b3e2136450b9ffc;p=unres.git diff --git a/source/unres/src_Eshel/misc.f b/source/unres/src_Eshel/misc.f new file mode 100644 index 0000000..e189839 --- /dev/null +++ b/source/unres/src_Eshel/misc.f @@ -0,0 +1,203 @@ +C $Date: 1994/10/12 17:24:21 $ +C $Revision: 2.5 $ +C +C +C + logical function find_arg(ipos,line,errflag) + parameter (maxlen=80) + character*80 line + character*1 empty /' '/,equal /'='/ + logical errflag +* This function returns .TRUE., if an argument follows keyword keywd; if so +* IPOS will point to the first non-blank character of the argument. Returns +* .FALSE., if no argument follows the keyword; in this case IPOS points +* to the first non-blank character of the next keyword. + do while (line(ipos:ipos) .eq. empty .and. ipos.le.maxlen) + ipos=ipos+1 + enddo + errflag=.false. + if (line(ipos:ipos).eq.equal) then + find_arg=.true. + ipos=ipos+1 + do while (line(ipos:ipos) .eq. empty .and. ipos.le.maxlen) + ipos=ipos+1 + enddo + if (ipos.gt.maxlen) errflag=.true. + else + find_arg=.false. + endif + return + end + logical function find_group(iunit,jout,key1) + character*(*) key1 + character*80 karta,ucase + integer ilen + external ilen + logical lcom + rewind (iunit) + karta=' ' + ll=ilen(key1) + do while (index(ucase(karta),key1(1:ll)).eq.0.or.lcom(1,karta)) + read (iunit,'(a)',end=10) karta + enddo + write (jout,'(2a)') '> ',karta(1:78) + find_group=.true. + return + 10 find_group=.false. + return + end + logical function iblnk(charc) + character*1 charc + integer n + n = ichar(charc) + iblnk = (n.eq.9) .or. (n.eq.10) .or. (charc.eq. ' ') + return + end + integer function ilen(string) + character*(*) string + logical iblnk + + ilen = len(string) +1 if ( ilen .gt. 0 ) then + if ( iblnk( string(ilen:ilen) ) ) then + ilen = ilen - 1 + goto 1 + endif + endif + return + end + integer function in_keywd_set(nkey,ikey,narg,keywd,keywdset) + character*16 keywd,keywdset(1:nkey,0:nkey) + character*16 ucase + do i=1,narg + if (ucase(keywd).eq.keywdset(i,ikey)) then +* Match found + in_keywd_set=i + return + endif + enddo +* No match to the allowed set of keywords if this point is reached. + in_keywd_set=0 + return + end + character*(*) function lcase(string) + integer i, k, idiff + character*(*) string + character*1 c + character*40 chtmp +c + i = len(lcase) + k = len(string) + if (i .lt. k) then + k = i + if (string(k+1:) .ne. ' ') then + chtmp = string + endif + endif + idiff = ichar('a') - ichar('A') + lcase = string + do 99 i = 1, k + c = string(i:i) + if (lge(c,'A') .and. lle(c,'Z')) then + lcase(i:i) = char(ichar(c) + idiff) + endif + 99 continue + return + end + logical function lcom(ipos,karta) + character*80 karta + character koment(2) /'!','#'/ + lcom=.false. + do i=1,2 + if (karta(ipos:ipos).eq.koment(i)) lcom=.true. + enddo + return + end + logical function lower_case(ch) + character*(*) ch + lower_case=(ch.ge.'a' .and. ch.le.'z') + return + end + subroutine mykey(line,keywd,ipos,blankline,errflag) +* This subroutine seeks a non-empty substring keywd in the string LINE. +* The substring begins with the first character different from blank and +* "=" encountered right to the pointer IPOS (inclusively) and terminates +* at the character left to the first blank or "=". When the subroutine is +* exited, the pointer IPOS is moved to the position of the terminator in LINE. +* The logical variable BLANKLINE is set at .TRUE., if LINE(IPOS:) contains +* only separators or the maximum length of the data line (80) has been reached. +* The logical variable ERRFLAG is set at .TRUE. if the string +* consists only from a "=". + parameter (maxlen=80) + character*1 empty /' '/,equal /'='/,comma /','/ + character*(*) keywd + character*80 line + logical blankline,errflag,lcom + errflag=.false. + do while (line(ipos:ipos).eq.empty .and. (ipos.le.maxlen)) + ipos=ipos+1 + enddo + if (ipos.gt.maxlen .or. lcom(ipos,line) ) then +* At this point the rest of the input line turned out to contain only blanks +* or to be commented out. + blankline=.true. + return + endif + blankline=.false. + istart=ipos +* Checks whether the current char is a separator. + do while (line(ipos:ipos).ne.empty .and. line(ipos:ipos).ne.equal + & .and. line(ipos:ipos).ne.comma .and. ipos.le.maxlen) + ipos=ipos+1 + enddo + iend=ipos-1 +* Error flag set to .true., if the length of the keyword was found less than 1. + if (iend.lt.istart) then + errflag=.true. + return + endif + keywd=line(istart:iend) + return + end + subroutine numstr(inum,numm) + character*10 huj /'0123456789'/ + character*(*) numm + inumm=inum + inum1=inumm/10 + inum2=inumm-10*inum1 + inumm=inum1 + numm(3:3)=huj(inum2+1:inum2+1) + inum1=inumm/10 + inum2=inumm-10*inum1 + inumm=inum1 + numm(2:2)=huj(inum2+1:inum2+1) + inum1=inumm/10 + inum2=inumm-10*inum1 + inumm=inum1 + numm(1:1)=huj(inum2+1:inum2+1) + return + end + character*(*) function ucase(string) + integer i, k, idiff + character*(*) string + character*1 c + character*40 chtmp +c + i = len(ucase) + k = len(string) + if (i .lt. k) then + k = i + if (string(k+1:) .ne. ' ') then + chtmp = string + endif + endif + idiff = ichar('a') - ichar('A') + ucase = string + do 99 i = 1, k + c = string(i:i) + if (lge(c,'a') .and. lle(c,'z')) then + ucase(i:i) = char(ichar(c) - idiff) + endif + 99 continue + return + end