Commit Graph

10230 Commits

Author SHA1 Message Date
Dave Goodwin
c471052ef8 *** empty log message *** 2003-08-08 21:03:00 +00:00
Harry Moffat
918ee4a588 Added more comment.s 2003-08-08 19:58:50 +00:00
Dave Goodwin
6d852ebafd *** empty log message *** 2003-08-08 00:34:43 +00:00
Harry Moffat
ed7949cd4a Updated the xml data file 2003-08-07 21:49:25 +00:00
Harry Moffat
26c5c4236f Added a make hdr-collect line.
This is needed because the .h files in the build directory should be
kept up to date with the .a files in the build directory. Thus,
you need to update. Obviously, a more refined approach could
be envisioned where only out of date .h files are copied.
2003-08-07 21:42:49 +00:00
Dave Goodwin
10ba4fede9 *** empty log message *** 2003-08-07 17:56:02 +00:00
Dave Goodwin
98c282ca68 *** empty log message *** 2003-08-07 17:50:36 +00:00
Harry Moffat
26086b13c7 Added a lot of comments to the routine. 2003-08-07 15:59:53 +00:00
Harry Moffat
3a48ca5e5f Added the Makefile.in input file 2003-08-07 00:23:21 +00:00
Harry Moffat
d46d6d15ac Rebaselined these three tests. The results had changed in the
3rd significant digit.

The changes, according to Goodwin, were most likely due to the change
in the method of inclusion of the activation energies. Basically,
a non standard kcal/mole conversion method was used to convert
activation energies to temperatures internally.
2003-08-07 00:22:11 +00:00
Harry Moffat
42c12344ed Fixed an error in get_CTML_Tree() where the program wouldn't use
the path where the file was found, but would assume the file
was located in the current directory. This caused an empty
ifstream to be send to build(), which then created an infinite
loop (probably another error in build() that needs to be fixed).
2003-08-07 00:16:13 +00:00
Harry Moffat
2c399cddfc Broke a long line in two 2003-08-06 23:16:18 +00:00
Dave Goodwin
0e5c5bcf7b *** empty log message *** 2003-08-06 22:46:11 +00:00
Harry Moffat
25f4dac3cb Added the surfkin directory 2003-08-06 22:43:28 +00:00
Dave Goodwin
46deee41b1 *** empty log message *** 2003-08-06 20:21:09 +00:00
Dave Goodwin
d81d185bf9 *** empty log message *** 2003-08-06 20:05:00 +00:00
Harry Moffat
7f16539c86 Updated xml files 2003-08-06 18:30:27 +00:00
Harry Moffat
a59d1a233b Fixed GRI30.h. The id was wrong and caused a test problem to fail. 2003-08-06 18:15:34 +00:00
Harry Moffat
b87d572e97 Added to cvsignore list 2003-08-06 18:13:41 +00:00
Harry Moffat
2158086053 Added a simple test that calculate a rate of production for a surface
mechanism
2003-08-06 17:32:02 +00:00
Harry Moffat
e8d2044302 Added a get_CTML_Tree() function. It was missing though there
was an entry in ctml.h and IdealGasMix.h used it.
2003-08-06 17:14:46 +00:00
Harry Moffat
ce4d299371 updated xml file. test passes. 2003-08-06 17:10:35 +00:00
Harry Moffat
3fe1f7393b Added a bunch of new routines to return delta thermo values and
reaction rate constants.
2003-08-04 23:15:42 +00:00
Harry Moffat
7aca56da5e Fixed up a couple of issues with the stringstream block. That block
works for reading transport databases with comments in them. The
other block seems to get hung up.
2003-08-04 23:10:57 +00:00
Dave Goodwin
f36305a288 *** empty log message *** 2003-08-04 14:36:12 +00:00
Dave Goodwin
e26a9e54dd *** empty log message *** 2003-08-04 14:31:06 +00:00
Harry Moffat
5f38880f2e Added a dependency to library files 2003-08-04 14:27:51 +00:00
Harry Moffat
2675669646 added a comment. 2003-08-02 00:37:29 +00:00
Harry Moffat
0ee5420b4b Added a specific named error condition for when the thermo factory
can't find a match against a known ThermoPhase derivative class.
This can be (and is in cttables) used to catch thrown errors, so that
the kernel can be made extensible wrt other ThermoPhase derivative
classes it may not know about.
2003-08-02 00:36:33 +00:00
Harry Moffat
a29177e49a Added a specific named error for not matching against a kinetics
model. This can be (and is in cttables) used to catch a thrown
error condition to make the kernel extensible wrt new kinetics
managers.
2003-08-02 00:34:07 +00:00
Harry Moffat
061ae0fe6c Added a few comments 2003-08-02 00:29:18 +00:00
Harry Moffat
4d73f22a9c Added a comment block 2003-08-02 00:28:30 +00:00
Harry Moffat
7386e8ae07 Organized the routines into sections.
Added a bunch of routines that report the change in thermo quantities
due to reactions.
2003-08-02 00:27:22 +00:00
Harry Moffat
8b2fd2e3a8 Took out print statements in debug blocks 2003-08-02 00:25:32 +00:00
Harry Moffat
e5a425be3c Added a function getUnitsStandardConc() that will report in a vector
form what the units are (in MKS) for the standard and generalized
concentrations.
This is used to find what the units are for reaction rate constants and
is used by cttables to actually print out the units for reaction
rate constants.
2003-08-02 00:24:30 +00:00
Harry Moffat
70c432b7f4 Added a function to MixTransport and MultiTransport that returns
all of the raw transport data input from the original database.
I am using this in cttables for the print out to provide closure
to the user's expectations.
2003-08-02 00:16:27 +00:00
Harry Moffat
e160e01754 Added one more routine, needed to get at private data 2003-08-01 20:50:23 +00:00
Harry Moffat
fda7b38460 Slight change in comment 2003-08-01 20:13:38 +00:00
Harry Moffat
d0beb2fd05 Check for null before deleting or copying. Not strictly necessary, but
good form.
2003-08-01 19:44:59 +00:00
Harry Moffat
26b6d37c2e Added descriptions of the ThermoPhase classes known to this routine. 2003-08-01 19:43:28 +00:00
Harry Moffat
f65ca77625 UPgraded one error condition statement 2003-08-01 19:42:13 +00:00
Dave Goodwin
ab65fb1607 *** empty log message *** 2003-07-30 20:56:57 +00:00
Dave Goodwin
ae09566d97 *** empty log message *** 2003-07-30 02:05:00 +00:00
Dave Goodwin
0d00c29e75 *** empty log message *** 2003-07-30 00:27:26 +00:00
Dave Goodwin
03e175c01f moved some methods to State.cpp 2003-07-29 22:37:30 +00:00
Dave Goodwin
6e5eae4dd6 initial import 2003-07-29 22:32:03 +00:00
Harry Moffat
9227cd87fb Fixed several serious errors and added a couple of routines.
1) the read operation would hash any quoted string with a space
     character in it.
  2) changed children() to return a reference rather than the
     complete object
  3) write() would leave off the final endl character. This has
     been fixed.
Additions:
   copy()
   copyUnion(): union of two trees; this routine may be problematic
   findXMLPhase(): phase lookup.
Notes:
 find_XML() still contains a memory leak.
2003-07-25 20:46:01 +00:00
Harry Moffat
712176ae08 Fixed an error in the Constructor function. m_indexPhase wasn't being
set at all
2003-07-24 15:58:17 +00:00
Dave Goodwin
282bc2a6b7 *** empty log message *** 2003-07-24 00:18:21 +00:00
Harry Moffat
e788cc578c Added a lot of comments to the header file 2003-07-23 21:54:44 +00:00