All the routines contained in this library are written in ANSI standard FORTRAN 77.
The strange library name is to avoid conflicts with existing freeware software namely libxml.
The first argument to all the subroutine calls in PXXML is XMLFileUnit which is the unit of the opened or to be opened XML file. If the XMLFileUnit is 6 then the XML will go to STDOUT.
PXXML can be used to write standard HTML by use of the root html element.
<?xml version="1.0"?>
<run>
<MATTHEWS_COEF
ccp4_version="4.1"
date="17/ 9/01"
/>
<keyword
>
</keyword>
<cell
volume=" 66089.8438"
/>
<result
nmol_in_asu=" 1"
matth_coeff=" 2.47929788"
percent_solvent=" 50."
/>
<result
nmol_in_asu=" 2"
matth_coeff=" 1.23964894"
percent_solvent=" 1.58794796E-06"
/>
</run>
Arguments:
- =0
- OK
- =-1
- no such file
- all other errors cause stop
When called the subroutine will firstly open a file if appropriate. If the XMLFileUnit has already been set to 6 then STDOUT will be used and a data island is written. Otherwise an xml file is opened with the name CALLINGPROGRAM.xml. This filename can be overwritten with the environment variable or command line option XMLFILE.
The subroutine will write the following XML to XMLFileUnit (as long as the root element is not html). The root element specified here was run.
<?xml version="1.0"?>
<run>
<MATTHEWS_COEF
ccp4_version="4.1"
date="17/ 9/01"
/>
Arguments:
- =0
- OK
- =-1
- no such file
- all other errors cause stop
If the subroutine is called and XMLOpen had not been previously called then XMLOpen will be called and the ElementName is assumed to be the root element.
If XMLOpenElement is called after XMLOpen then an element of the following style is opened:<elementname
The element name is not closed with a > as this will allow attributes to be added.
Write an attribute to an element (form attribute="value")
Arguments:- =0
- OK
- =-1
- no such file
- all other errors cause stop
The XML file unit must be opened when XMLWriteAttribute is called or the results will be unexpected!
The actions of the subroutine are shown below
The subroutine call is:XMLWriteAttribute(XMLFileUnit, "cell", "x", "90", ifail)1) Example 1: XML before the above call:
<?xml version="1.0"?>
<run>
<MATTHEWS_COEF
ccp4_version="4.1"
date="17/ 9/01"
/>
After:
<?xml version="1.0"?>
<run>
<MATTHEWS_COEF
ccp4_version="4.1"
date="17/ 9/01"
/>
<cell
x="90"
1) Example 2: XML before the above call:
<?xml version="1.0"?>
<run>
<MATTHEWS_COEF
ccp4_version="4.1"
date="17/ 9/01"
/>
<cell
After:
<?xml version="1.0"?>
<run>
<MATTHEWS_COEF
ccp4_version="4.1"
date="17/ 9/01"
/>
<cell
x="90"
Write the value of an element (and element if not already opened)
Arguments:- =0
- OK
- =-1
- no such file
- all other errors cause stop
The XML file does not have to be opened when XMLWriteElement is called. This routine can simply be called to write a file/island with the root element and value and then close itself.
The actions of the subroutine are shown below
The subroutine call is:XMLWriteElement(XMLFileUnit, "cell", "73.5820 38.7330 23.1890 90 90 90 ", ifail)1) Example 1: XML before the above call:
<?xml version="1.0"?>
<run>
<MATTHEWS_COEF
ccp4_version="4.1"
date="17/ 9/01"
/>
After:
<?xml version="1.0"?>
<run>
<MATTHEWS_COEF
ccp4_version="4.1"
date="17/ 9/01"
/>
<cell>
73.5820 38.7330 23.1890 90 90 90
</cell>
1) Example 2: XML before the above call:
<?xml version="1.0"?>
<run>
<MATTHEWS_COEF
ccp4_version="4.1"
date="17/ 9/01"
/>
<cell
After:
<?xml version="1.0"?>
<run>
<MATTHEWS_COEF
ccp4_version="4.1"
date="17/ 9/01"
/>
<cell
>
73.5820 38.7330 23.1890 90 90 90
</cell>
Close an element and the file if its the root element
Arguments:- =0
- OK
- =-1
- no such file
- all other errors cause stop
This subroutine will close an element. If the element specified is not the current open element the subroutine will close the current element then check if the next element is the specified element. The subroutine will continue to do this until it either finds a match or reaches the root element. When the subroutine reaches the root element it will close it and the file.
integer elementstatus(80), elementnumber
character*80 openelements(80), XMLFileName
external lenstr
common /ccp4xmld/ elementnumber, elementstatus, openelements,
$ XMLFileName
the element number records the depth of the element i.e. root element = 1, next one down is 2 and so on.
The purpose of the array elementstatus is to store the status of the element - i.e. 0=closed, 1=open (not complete), 2=open (complete with >).
The purpose of the openelements is to remember the name of all the open elements (with or without the trailing >). The name of closed elements is not remembered.
XMLFileName.... speaks for itself!