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subroutine messag(messg)
c write message to standard ouput with (1x,a) format
character*(*) messg
write(*,'(1x,a)') messg
return
c end subroutine messag
end
subroutine getcom(prompt, iuin, commnd, files, iunit,
$ mfiles, nfiles)
c
c get next command line from unit iuin, or from a command file.
c some rudimentary error checking is done here.
c
c prompt string to display when expecting input (in)
c iuin default unit to read from (in)
c files array of command files to use (in/out)
c mfiles max number of command files to use (in/out)
c commnd next command line to execute (out)
c
integer mwords, ii, ipro, mfiles, nfiles
parameter (mwords = 3)
character*(*) prompt, commnd, files(mfiles)
character*80 line, words(mwords), errmsg, prom, stat*7
integer iunit(mfiles), istrln, nwords
external istrln
data stat /'old'/
c---------------------------------------------------------------------
call triml(prompt)
prom = prompt
ipro = istrln(prom)
if (ipro.le.1) then
prom = ' '
ipro = 1
end if
iu0 = iuin
if (iu0.le.0) iu0 = 5
30 format(1x,a, '>',$)
40 format(a)
100 continue
c read command from prompt (standard input)
c or from current input command lines from an external file
line = ' '
commnd = ' '
if ((nfiles.lt.0).or.(nfiles.gt.mfiles)) nfiles = 0
if (nfiles.eq.0) then
if ((iu0.eq.5).and.(ipro.gt.1)) then
write(*, 30) prom(1:ipro)
end if
read ( iu0 ,40, err = 600, end = 600) line
else
read(iunit(nfiles),40, err =1000, end = 500) line
end if
c
c check if command line is 'load filename'.
c if so, open that file, and put it in the files stack
call triml(line)
call untab(line)
nwords = mwords
words(1) = ' '
words(2) = ' '
call bwords(line, nwords, words)
if ((line.eq.' ').or.(nwords.le.0)) go to 100
call smcase(words(1),'a')
if ( (words(1)(1:5).eq.'load ').or.
$ (words(1)(1:8).eq.'include ').or.
$ (words(1)(1:6).eq.'input ')) then
if (words(2).eq.' ') then
call messag( ' ##> no file name given. syntax is'//
$ ' include filename ')
go to 100
end if
nfiles = nfiles + 1
if (nfiles.gt.mfiles) go to 2000
call getfln(words(2),files(nfiles), errmsg)
do 400 i = 1, nfiles - 1
if (files(nfiles).eq.files(i)) go to 3000
400 continue
iunit(nfiles) = 0
call openfl(iunit(nfiles), files(nfiles), stat, iexist, ierr)
if (iexist.lt.0) go to 2600
if (ierr.lt.0) go to 2800
go to 100
elseif ((words(1)(1:1).eq.'*').or.(words(1)(1:1).eq.'#')) then
commnd = ' '
go to 100
else
commnd = line
end if
return
c
c end-of-file for command line file: drop nfiles by 1,
c return to get another command line
500 continue
close(iunit(nfiles))
nfiles = nfiles - 1
if (nfiles.lt.0) nfiles = 0
if (ipro.gt.1) go to 100
commnd = 'getcom_eof'
return
c
600 continue
commnd = 'getcom_end'
return
c
c warning and error messages
1000 continue
call messag(' ##> error reading from "include"d file: ' )
errmsg = files(nfiles)
ii = max(1, istrln(errmsg))
call messag(' ##> '//errmsg(1:ii) )
go to 5000
2000 continue
call messag(' ##> error: too many nested "include"d files: ' )
write(errmsg, '(1x,a,i3)') ' ##>current limit is ', mfiles
ii = max(1, istrln(errmsg))
call messag(' ##> '//errmsg(1:ii) )
go to 5000
2600 continue
call messag(' ##> error: can not find "include"d file: ' )
errmsg = files(nfiles)
ii = max(1, istrln(errmsg))
call messag(' ##> '//errmsg(1:ii) )
go to 5000
2800 continue
call messag(' ##> error: can not open "include"d file: ' )
errmsg = files(nfiles)
ii = max(1, istrln(errmsg))
call messag(' ##> '//errmsg(1:ii) )
go to 5000
3000 continue
call messag(' ##> error: recursive "include" of file:')
errmsg = files(nfiles)
ii = max(1, istrln(errmsg))
call messag(' ##> '//errmsg(1:ii) )
go to 5000
c
5000 continue
commnd = 'getcom_error'
return
c
c end subroutine getcom
end
subroutine fixstr(string,str,ilen,words,wrdsor,mwords,nwords)
c simple preparation of string for reading of keywords
integer ilen, mwords, nwords, i, lenp1
integer iexcla, iperct, ihash, ieolc, istrln
character*(*) string, str, words(mwords), wrdsor(mwords)
c
c fix-up string: untab, left-justify, make a lower-case version
nwords = 0
call untab(string)
str = string
call triml(str)
call smcase( str, 'case')
c remove comments from str:
c '!', '#', and '%' are end of line comments
c '*' is a complete comment line if in col 1
lenp1 = len(str) + 1
iexcla = index(str,'!')
if (iexcla.eq.0) iexcla = lenp1
iperct = index(str,'%')
if (iperct.eq.0) iperct = lenp1
ihash = index(str,'#')
if (ihash.eq.0) ihash = lenp1
ieolc = min(iperct,iexcla,ihash) - 1
if ((ieolc.lt.1).or.(str(1:1).eq.'*')) ieolc = 1
str = str(1:ieolc)
ilen = max(1, istrln(str))
if (ilen.le.2) return
c break string into words (up to mwords)
c words is in lower case, wrdsor is in original case
do 120 i = 1, mwords
words(i) = ' '
wrdsor(i) = ' '
120 continue
nwords = mwords
call bwords(str , nwords, words)
call bwords(string, nwords, wrdsor)
c end subroutine fixstr
return
end
subroutine askstr(ask, str)
c
c prompt for and return a characer string.
c see also the routines askint, and askval.
c inputs:
c ask character string for prompt
c str default string to show in prompt
c outputs:
c str string read in
c copyright 1993 university of washington matt newville
character*(*) ask , str
character*80 query , answer
integer i , j, k, istrln
external istrln
query = ask
call triml(query)
call triml(str)
i = max(1, istrln(query) )
j = max(1, istrln(str) )
k = max(1, min(80, len(str)))
30 format (2x,a,' [', a, '] >',$)
write(*, 30 ) query(1:i), str(1:j)
read (*, '(a)', err= 50) answer
call triml(answer)
if (istrln(answer).ge.1) str = answer(1:k)
50 continue
return
c end subroutine askstr
end
subroutine askdp(ask, val)
c prompt for and return a double precision number
c inputs:
c ask character string for prompt
c val default dp number to show in prompt
c outputs:
c val dp number read in
c copyright 1993 university of washington matt newville
character*(*) ask, answer*30 , query*80
integer i, istrln
double precision val, tmp
external istrln
query = ask
i = max(1, istrln(query) )
30 format( 2x,a,' [', g16.8, '] >',$)
write(*, 30) query(1:i), val
read (*, '(a)', err = 50) answer
if ( answer.ne.' ') then
call str2dp(answer, tmp, ierr)
if (ierr.eq. 0 ) val = tmp
end if
50 continue
return
c end subroutine askdp
end
subroutine askint(ask, int)
c prompt for and return an integer.
c inputs:
c ask character string for prompt
c int default integer to show in prompt
c outputs:
c int integer read in
c copyright 1993 university of washington matt newville
character*(*) ask, answer*30, query*80
integer i, istrln, int, itmp
external istrln
query = ask
call triml(query)
i = max(1, istrln(query) )
30 format( 2x,a,' [', i4, '] >',$)
write(*, 30) query(1:i), int
read (*, '(a)', err = 50) answer
call triml(answer)
if (istrln(answer).ge.1) then
call str2in(answer, itmp, ierr)
if (ierr.eq. 0 ) int = itmp
end if
50 continue
return
c end subroutine askint
end
character*2 function atsym (iz)
character*2 sym(103)
common /atsyms/ sym
save
atsym = 'xx'
if ((iz.le.103).and.(iz.gt.0)) atsym = sym(iz)
call upper(atsym(1:1))
return
end
c
integer function iatsym (symin)
character*2 sym(103), symin
common /atsyms/ sym
save
call smcase(symin,sym(1))
do 10 iatsym = 1, 103
if (symin.eq.sym(iatsym)) return
10 continue
iatsym = 0
return
end
c
block data prtabl
character*2 sym(103)
common /atsyms/ sym
data sym / 'h' ,'he','li','be','b' ,'c' ,'n' ,'o' ,'f' ,'ne',
$ 'na','mg','al','si','p' ,'s' ,'cl','ar','k' ,'ca','sc','ti',
$ 'v' ,'cr','mn','fe','co','ni','cu','zn','ga','ge','as','se',
$ 'br','kr','rb','sr','y' ,'zr','nb','mo','tc','ru','rh','pd',
$ 'ag','cd','in','sn','sb','te','i' ,'xe','cs','ba','la','ce',
$ 'pr','nd','pm','sm','eu','gd','tb','dy','ho','er','tm','yb',
$ 'lu','hf','ta','w' ,'te','os','ir','pt','au','hg','tl','pb',
$ 'bi','po','at','rn','fr','ra','ac','th','pa','u' ,'np','pu',
$ 'am','cm','bk','cf','es','fm','md','no','lw'/
end
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