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File structures, file names and line endings

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page last updated: 28.11.2011

File structures, file names and line endings

Thermocalc reads information from a number of files which contain information  (e.g. the dataset, a-x relations, scripts). During a run it also produces or overwrites a number of files. Over the years, the naming structure for these files has changed, as has the form of some of the code within them.  One of the more recent changes (version 3.30 and later) has been the separation of the datafile scripting from the a-x relationships. For phase diagram calculations the following files and file naming structure are needed.

thermocalc 3.30 onward

Input files     

In the most recent version the files for both the mac and the pc have the same file name structure:

Input file naming convention
File name Description
tc330 or tc330i or tc330.exe
The software for mac(ppc), mac(intel) and pc respectively
tc-ds55
The internally consistent dataset version 5.5
tc-prefs
The global preferences file for thermocalc
tc-<system>
e.g. tc-NCKFMASH: The a-x coding for the minerals in the given system
tc-<name>
e.g. tc-metabasic or tc-sample38. The local script file for defining the type of calculation to be undertaken, the bulk rock composition etc.

 

Output files

Output file naming structure
File name Description
tc-log
The log file with a record of the calculations undertaken as well as several forms of output
tc-<name>-o
The basic output file showing the full results of the run (ie P-T, modes & mineral compositions
tc-<name>-dr
The space-delimited output for copying and pasting into drawpd input files. Typically contains just P & T  but may include X for T-x & P-x  diagrams, µ for µ-µ diagrams etc.

 

thermocalc 3.23–3.26

Here the files for both the mac and the pc have a different file name structure. Below the first listed name is for the mac and the second for the pc unless otherwise stated.

Input files     

Input file naming structure: Note, the example relates to tc3.26.
File Name Description
tc326 or tc326i or tc326.exe
The software for mac(ppc), mac(intel) and pc respectively

tcds55

tcds55.txt

The internally consistent dataset version 5.5 (MAC version)

The internally consistent dataset version 5.5 (PC version)

tcprefs

tcprefs.txt

The global preferences file for thermocalc (MAC version)

The global preferences file for thermocalc (PC version)

tcd<name>  
e.g. tcdmetabasic or tcdsample38. The datafile containing the a-x coding for the minerals in the given system and the scripts for defining the type of calculation to be undertaken, the bulk rock composition etc

Output files

Output file naming structure
File name Description
tclog
The log file with a record of the calculations undertaken as well as several forms of output
tco<name>
e.g. tcometabasic or tcosample38. The basic output file showing the full results of the run (ie P-T, modes & mineral compositions.
tcdr
The space-delimited output for copying and pasting into drawpd input files. Typically contains just P & T  but may include X for T-x & P-x  diagrams, µ for µ-µ diagrams etc

Older versions (pre 3.23)

Pre version 3.23 thermocalc for MAC operates as a stand alone double-clickable application (eg thermocalc 3.21). In addition, the file naming structure differs, with the prefix “th d” for datafiles. The internally-consistent thermodynamic dataset is also split into two files (th pdata1 & th pdata2). The thermocalc course documentation this of this era and you can find the required documentation there. Note: there are a number of a-x coding structures that differ from current ones and recent datafiles will not work.

WE STRONGLY RECOMMEND YOU DO NOT USE THESE EARLIER VERSIONS OF THERMOCALC AND THE ASSOCIATED DATAFILES UNLESS YOU ARE SPECIFICALLY REPRODUCING SOME EARLIER RESULTS!

Line endings

Another difference between the MAC and PC versions of the program/files is the nature of the line endings (the way in which the system understands the end of a line). As the recent MAC versions operates in the “terminal” unix shell, it needs unix line endings for the input files. Earlier non-terminal versions require mac line endings and the pc version requires pc line endings. If you open an input file on a pc and all the information is on one very long line or is jumbled, this usually means the file has the wrong line endings. Changing the line endings is relatively simple.

In BBEdit the line endings can be changed using the fifth button across on the menu bar.

In word you should be able to open the file and save as text for the correct line endings.