Convert .cti files in data/inputs to .xml as part of the buld process

The full set of .cti and .xml files to be installed is placed in build/data (for
use by the test suite) and copied to the CANTERA_DATA folder on installation.

SConstruct

@@ -1003,6 +1003,23 @@ env.SConsignFile()
 env.Append(CPPPATH=[],
            LIBPATH=[Dir('build/lib')])
 
+# preprocess input files (cti -> xml)
+convertedInputFiles = set()
+for cti in mglob(env, 'data/inputs', 'cti'):
+    build(env.Command('build/data/%s' % cti.name, cti.path,
+                      Copy('$TARGET', '$SOURCE')))
+    outName = os.path.splitext(cti.name)[0] + '.xml'
+    convertedInputFiles.add(outName)
+    build(env.Command('build/data/%s' % outName, cti.path,
+                      '$python_cmd interfaces/python/ctml_writer.py $SOURCE $TARGET'))
+
+
+# Copy input files which are not present as cti:
+for xml in mglob(env, 'data/inputs', 'xml'):
+    dest = pjoin('build','data',xml.name)
+    if xml.name not in convertedInputFiles:
+        build(env.Command(dest, xml.path, Copy('$TARGET', '$SOURCE')))
+
 if addInstallActions:
     # Put headers in place
     headerBase = 'include/cantera'
@@ -1039,7 +1056,7 @@ if addInstallActions:
                         pjoin(headerdir, name, filename), cmd)
 
     # Data files
-    install('$inst_datadir', mglob(env, pjoin('data','inputs'), 'cti', 'xml'))
+    install('$inst_datadir', mglob(env, pjoin('build','data'), 'cti', 'xml'))
 
     # Converter scripts
     pyExt = '.py' if env['OS'] == 'Windows' else ''

interfaces/python/ctml_writer.py

@@ -297,7 +297,7 @@ def ufmt(base, n):
     if n > 0: return '-'+base+str(n)
     if n < 0: return '/'+base+str(-n)
 
-def write():
+def write(outName=None):
     """write the CTML file."""
     x = XMLnode("ctml")
     v = x.addChild("validate")
@@ -319,7 +319,9 @@ def write():
     for rx in _reactions:
         rx.build(r)
 
-    if _name != 'noname':
+    if outName is not None:
+        x.write(outName)
+    elif _name != 'noname':
         x.write(_name+'.xml')
     else:
         print x
@@ -2384,7 +2386,7 @@ class Lindemann:
 #get_atomic_wts()
 validate()
 
-def convert(filename):
+def convert(filename, outName=None):
     import os, sys
     base = os.path.basename(filename)
     root, _ = os.path.splitext(base)
@@ -2426,8 +2428,10 @@ def convert(filename):
 
         sys.exit(4)
 
-    write()
+    write(outName)
 
 if __name__ == "__main__":
     import sys
-    convert(sys.argv[1])
+    if len(sys.argv) not in (2,3):
+        raise ValueError('Incorrect number of command line arguments.')
+    convert(*sys.argv[1:])

test/SConscript

@@ -9,7 +9,7 @@ localenv.Append(CPPPATH=['#ext/gtest/include', '#include'],
                 LIBS=['gtest'] + localenv['cantera_libs'])
 
 localenv['ENV']['PYTHONPATH'] = Dir('#interfaces/python').abspath
-localenv['ENV']['CANTERA_DATA'] = Dir('#data/inputs').abspath
+localenv['ENV']['CANTERA_DATA'] = Dir('#build/data').abspath
 
 # Needed for Intel runtime libraries when compiling with ICC
 if 'LD_LIBRARY_PATH' in os.environ:

test/python/testReactors.py

@@ -21,7 +21,7 @@ class CombustorTestImplementation(object):
 
     referenceFile = '../data/CombustorTest-integrateWithAdvance.csv'
     def setUp(self):
-        self.gas = ct.importPhase('../../data/inputs/h2o2.cti')
+        self.gas = ct.importPhase('h2o2.cti')
 
         # create a reservoir for the fuel inlet, and set to pure methane.
         self.gas.set(T=300.0, P=ct.OneAtm, X='H2:1.0')
@@ -120,17 +120,17 @@ class WallTestImplementation(object):
     referenceFile = '../data/WallTest-integrateWithAdvance.csv'
     def setUp(self):
         # reservoir to represent the environment
-        self.gas0 = ct.importPhase('../../data/inputs/air.cti')
+        self.gas0 = ct.importPhase('air.cti')
         self.gas0.set(T=300, P=ct.OneAtm)
         self.env = reactors.Reservoir(self.gas0)
 
         # reactor to represent the side filled with Argon
-        self.gas1 = ct.importPhase('../../data/inputs/air.cti')
+        self.gas1 = ct.importPhase('air.cti')
         self.gas1.set(T=1000.0, P=30*ct.OneAtm, X='AR:1.0')
         self.r1 = reactors.Reactor(self.gas1)
 
         # reactor to represent the combustible mixture
-        self.gas2 = ct.importPhase('../../data/inputs/h2o2.cti')
+        self.gas2 = ct.importPhase('h2o2.cti')
         self.gas2.set(T=500.0, P=1.5*ct.OneAtm, X='H2:0.5, O2:1.0, AR:10.0')
         self.r2 = reactors.Reactor(self.gas2)