Help Reading Fortran Code 1

[jamez05]

Hi,

I have a bunch of Fortran code that I'm trying to analyze.
Below is a piece that I'm trying to make sense of. Any insight is appreciated:

real value
integer lun,lm,caller,chem,idloc
logical found,setmole
real ssen,ssemes,a
integer i,ib,ih,eh,ssemit,ssenum,ssebak

      a=0.
      i=ssemit()
      a=a+ssemes('C{*} ','Carbon(s):',47.6,1,1,lun)
      a=a+ssemes('RBr ','Bromine(s):',76.1,2,1,lun)
      a=a+ssemes('RCl ','Chlorine(s):',62.0,3,1,lun)
      a=a+ssemes('RF ','Florine(s):',30.5,4,1,lun)
      a=a+ssemes('RI ','Iodine(s):',98.9,5,1,lun)
      a=a+ssemes('N{*} ','Nitrogen(s):',41.9,6,1,lun)
      a=a+ssemes('O{*} ','Oxygen(s):',36.2,7,1,lun)
      a=a+ssemes('P{*} ','Phosphorus:',73.5,8,1,lun)
      a=a+ssemes('S{*} ','Sulfur(s):',67.7,9,1,lun)
      ib=ssenum('R?R ')
      ih=0
      eh=0
      do i=1,numatm
        ih=ih+atmhyd(i)                   ! Implicit Hydrogens
        if (atmtyp(i).eq.hydro)eh=eh+1    ! Explicit Hydrogen
      enddo
      a=a+ssen(ih+eh,'Hydrogen(s):',24.7,1,lun)
      a=a+ssen(ih+ib,'Bond(s):',-19.0,1,lun)
      i=ssebak()

 

[jamez05]

Here's a more specific question:

ssemes must be a function correct?

Also, there is some code that looks like this:

data bhbond(polar)/6/

Does anyone know what that does?

Thanks

James

 

[xwb]

Not sure what exactly you do not understand

ssemit, ssemes, ssenum, ssen and sseback are functions.

No idea what 1un means. I've never seen that one before

What ssemes takes as a parameter looks like

1) a wildcard string, probably in some form of chemical element mnemonic
2) a description of what it is, probably for tracing purposes
3) not sure what this is - some variant of atomic weight perhaps
4) a sort of sequence number - seems to be sequential. Possibly an array index
5) they are all 1 so possibly an array index
6) no idea what 1un is - it gives an error on my compiler.

Do you have a declaration of polar? Something like

integer polar, bhbond(20)
parameter (polar = 4)

With the above declaration, bhbond(polar)/6/ just sets the 4th element of bhbond to 6.

 

[jamez05]

Thanks for your reply.

The lun seems to be a variable used for diplaying
error messages. The information you provided helps
get me in the right direction.

There is a declaration for polar:

integer *4 polar
parameter (polar = 7)
integer bhbond(polar)

 

[zeitghost]

lun" - logical unit number? stderr in FORTRANspeak?

 

[jamez05]

Yes, I found some documentation buried in a file cabinet and that's what lun stands for. Interesting project, but limited documentation and I'm learning as I go.

Great experience, just hoping I can handle it.

 

[xwb]

Just realized - I read l as 1. Looks the same as I have my font set to small. Only looks different when I enlarge the font.