diff --git a/include/IPhreeqc.f.inc b/include/IPhreeqc.f.inc
index 7aa7b9d5..40c922e0 100644
--- a/include/IPhreeqc.f.inc
+++ b/include/IPhreeqc.f.inc
@@ -74,5 +74,6 @@ C
INTEGER(KIND=4) SetDumpStringOn
INTEGER(KIND=4) SetErrorFileOn
INTEGER(KIND=4) SetLogFileOn
+ INTEGER(KIND=4) SetOutputFileName
INTEGER(KIND=4) SetOutputFileOn
INTEGER(KIND=4) SetSelectedOutputFileOn
diff --git a/include/IPhreeqc.f90.inc b/include/IPhreeqc.f90.inc
index 4d10f3f7..336f5e9b 100644
--- a/include/IPhreeqc.f90.inc
+++ b/include/IPhreeqc.f90.inc
@@ -156,6 +156,14 @@
END INTERFACE
+ INTERFACE
+ SUBROUTINE GetOutputFileName(ID,FNAME)
+ INTEGER(KIND=4), INTENT(IN) :: ID
+ CHARACTER(LEN=*), INTENT(OUT) :: FNAME
+ END SUBROUTINE GetOutputFileName
+ END INTERFACE
+
+
INTERFACE
FUNCTION GetOutputFileOn(ID)
INTEGER(KIND=4), INTENT(IN) :: ID
@@ -328,6 +336,15 @@
END INTERFACE
+ INTERFACE
+ FUNCTION SetOutputFileName(ID,FNAME)
+ INTEGER(KIND=4), INTENT(IN) :: ID
+ CHARACTER(LEN=*), INTENT(IN) :: FNAME
+ INTEGER(KIND=4) :: SetOutputFileName
+ END FUNCTION SetOutputFileName
+ END INTERFACE
+
+
INTERFACE
FUNCTION SetOutputFileOn(ID,OUT_ON)
INTEGER(KIND=4), INTENT(IN) :: ID
diff --git a/include/IPhreeqc.h b/include/IPhreeqc.h
index 8b293189..601614cd 100644
--- a/include/IPhreeqc.h
+++ b/include/IPhreeqc.h
@@ -240,7 +240,7 @@ extern "C" {
* @par Fortran90 Example:
* see \ref GetComponent_f90 "GetComponent"
*/
- IPQ_DLL_EXPORT int GetComponentCount(int id);
+ IPQ_DLL_EXPORT int GetComponentCount(int id);
/**
@@ -261,7 +261,7 @@ extern "C" {
*
* @endhtmlonly
*/
- IPQ_DLL_EXPORT const char* GetDumpFileName(int id);
+ IPQ_DLL_EXPORT const char* GetDumpFileName(int id);
/**
@@ -281,7 +281,7 @@ extern "C" {
*
* @endhtmlonly
*/
- IPQ_DLL_EXPORT int GetDumpFileOn(int id);
+ IPQ_DLL_EXPORT int GetDumpFileOn(int id);
/**
@@ -468,6 +468,25 @@ extern "C" {
*/
IPQ_DLL_EXPORT int GetLogFileOn(int id);
+/**
+ * Retrieves the name of the output file. The default name is phreeqc.id.out.
+ * @param id The instance id returned from \ref CreateIPhreeqc.
+ * @return filename The name of the output file.
+ * @see GetOutputFileOn, GetOutputString, GetOutputStringOn, GetOutputStringLine, GetOutputStringLineCount, SetOutputFileName, SetOutputFileOn, SetOutputStringOn
+ * @par Fortran90 Interface:
+ * @htmlonly
+ *
+ *
+ * SUBROUTINE GetOutputFileName(ID,FILENAME)
+ * INTEGER(KIND=4), INTENT(IN) :: ID
+ * CHARACTER(LEN=*), INTENT(OUT) :: FILENAME
+ * END SUBROUTINE GetOutputFileName
+ *
+ *
+ * @endhtmlonly
+ */
+ IPQ_DLL_EXPORT const char* GetOutputFileName(int id);
+
/**
* Retrieves the current value of the output file switch.
@@ -995,7 +1014,9 @@ Headings
* Sets the name of the dump file. This file name is used if not specified within DUMP input.
* The default value is dump.id.out.
* @param id The instance id returned from \ref CreateIPhreeqc.
- * @return filename The name of the file to write DUMP output to.
+ * @param filename The name of the file to write DUMP output to.
+ * @retval IPQ_OK Success.
+ * @retval IPQ_BADINSTANCE The given id is invalid.
* @see GetDumpFileName, GetDumpFileOn, GetDumpString, GetDumpStringOn, GetDumpStringLine, GetDumpStringLineCount, SetDumpFileOn, SetDumpStringOn
* @par Fortran90 Interface:
* @htmlonly
@@ -1004,7 +1025,7 @@ Headings
* FUNCTION SetDumpFileName(ID,FILENAME)
* INTEGER(KIND=4), INTENT(IN) :: ID
* CHARACTER(LEN=*), INTENT(OUT) :: FILENAME
- * INTEGER(KIND=4) :: SetDumpFileOn
+ * INTEGER(KIND=4) :: SetDumpFileName
* END FUNCTION SetDumpFileName
*
*
@@ -1121,6 +1142,28 @@ Headings
*/
IPQ_DLL_EXPORT IPQ_RESULT SetLogFileOn(int id, int log_on);
+/**
+ * Sets the name of the output file. This file name is used if not specified within DUMP input.
+ * The default value is phreeqc.id.out.
+ * @param id The instance id returned from \ref CreateIPhreeqc.
+ * @param filename The name of the phreeqc output file.
+ * @retval IPQ_OK Success.
+ * @retval IPQ_BADINSTANCE The given id is invalid.
+ * @see GetOutputFileName, GetOutputFileOn, GetOutputString, GetOutputStringOn, GetOutputStringLine, GetOutputStringLineCount, SetOutputFileOn, SetOutputStringOn
+ * @par Fortran90 Interface:
+ * @htmlonly
+ *
+ *
+ * FUNCTION SetOutputFileName(ID,FILENAME)
+ * INTEGER(KIND=4), INTENT(IN) :: ID
+ * CHARACTER(LEN=*), INTENT(OUT) :: FILENAME
+ * INTEGER(KIND=4) :: SetOutputFileName
+ * END FUNCTION SetOutputFileName
+ *
+ *
+ * @endhtmlonly
+ */
+ IPQ_DLL_EXPORT IPQ_RESULT SetOutputFileName(int id, const char* filename);
/**
* Sets the output file switch on or off. This switch controls whether or not phreeqc
diff --git a/src/IPhreeqcLib.cpp b/src/IPhreeqcLib.cpp
index ddadf2e2..7121ff0f 100644
--- a/src/IPhreeqcLib.cpp
+++ b/src/IPhreeqcLib.cpp
@@ -258,6 +258,18 @@ GetLogFileOn(int id)
return IPQ_BADINSTANCE;
}
+const char*
+GetOutputFileName(int id)
+{
+ static const char empty[] = "";
+ IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
+ if (IPhreeqcPtr)
+ {
+ return IPhreeqcPtr->GetOutputFileName();
+ }
+ return empty;
+}
+
int
GetOutputFileOn(int id)
{
@@ -526,6 +538,18 @@ SetLogFileOn(int id, int value)
return IPQ_BADINSTANCE;
}
+IPQ_RESULT
+SetOutputFileName(int id, const char* filename)
+{
+ IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
+ if (IPhreeqcPtr)
+ {
+ IPhreeqcPtr->SetOutputFileName(filename);
+ return IPQ_OK;
+ }
+ return IPQ_BADINSTANCE;
+}
+
IPQ_RESULT
SetOutputFileOn(int id, int value)
{
diff --git a/src/fwrap.cpp b/src/fwrap.cpp
index 36e38ac7..08959f19 100644
--- a/src/fwrap.cpp
+++ b/src/fwrap.cpp
@@ -182,6 +182,12 @@ GetLogFileOnF(int *id)
return ::GetLogFileOn(*id);
}
+void
+GetOutputFileNameF(int *id, char* fname, unsigned int fname_length)
+{
+ padfstring(fname, ::GetOutputFileName(*id), fname_length);
+}
+
int
GetOutputFileOnF(int *id)
{
@@ -402,6 +408,23 @@ SetLogFileOnF(int *id, int* log_on)
return ::SetLogFileOn(*id, *log_on);
}
+IPQ_RESULT
+SetOutputFileNameF(int *id, char* fname, unsigned int fname_length)
+{
+ char* cinput;
+
+ cinput = f2cstring(fname, fname_length);
+ if (!cinput)
+ {
+ ::AddError(*id, "SetOutputFileName: Out of memory.\n");
+ return IPQ_OUTOFMEMORY;
+ }
+
+ IPQ_RESULT n = ::SetOutputFileName(*id, cinput);
+ free(cinput);
+ return n;
+}
+
IPQ_RESULT
SetOutputFileOnF(int *id, int* output_on)
{
@@ -493,6 +516,10 @@ IPQ_DLL_EXPORT int __stdcall GETLOGFILEON(int *id)
{
return GetLogFileOnF(id);
}
+IPQ_DLL_EXPORT void __stdcall GETOUTPUTFILENAME(int *id, char *filename, unsigned int len)
+{
+ GetOutputFileNameF(id, filename, len);
+}
IPQ_DLL_EXPORT int __stdcall GETOUTPUTFILEON(int *id)
{
return GetOutputFileOnF(id);
@@ -574,6 +601,10 @@ IPQ_DLL_EXPORT int __stdcall SETLOGFILEON(int *id, int *log_on)
{
return SetLogFileOnF(id, log_on);
}
+IPQ_DLL_EXPORT int __stdcall SETOUTPUTFILENAME(int *id, char *filename, unsigned int len)
+{
+ return SetOutputFileNameF(id, filename, len);
+}
IPQ_DLL_EXPORT int __stdcall SETOUTPUTFILEON(int *id, int *output_on)
{
return SetOutputFileOnF(id, output_on);
diff --git a/src/fwrap.h b/src/fwrap.h
index cd1f40b7..9ba40435 100644
--- a/src/fwrap.h
+++ b/src/fwrap.h
@@ -70,6 +70,7 @@ extern "C" {
void GetErrorStringLineF(int *id, int* n, char* line, unsigned int line_length);
int GetErrorFileOnF(int *id);
int GetLogFileOnF(int *id);
+ void GetOutputFileNameF(int *id, char* filename, unsigned int filename_length);
int GetOutputFileOnF(int *id);
int GetSelectedOutputColumnCountF(int *id);
int GetSelectedOutputFileOnF(int *id);
@@ -90,6 +91,7 @@ extern "C" {
IPQ_RESULT SetDumpStringOnF(int *id, int* dump_string_on);
IPQ_RESULT SetErrorFileOnF(int *id, int* error_on);
IPQ_RESULT SetLogFileOnF(int *id, int* log_on);
+ IPQ_RESULT SetOutputFileNameF(int *id, char* fname, unsigned int fname_length);
IPQ_RESULT SetOutputFileOnF(int *id, int* output_on);
IPQ_RESULT SetSelOutFileOnF(int *id, int* selected_output_on);
diff --git a/src/fwrap2.cpp b/src/fwrap2.cpp
index 1c740b3a..9aa2b29f 100644
--- a/src/fwrap2.cpp
+++ b/src/fwrap2.cpp
@@ -80,6 +80,10 @@ IPQ_DLL_EXPORT int GETLOGFILEON(int *id)
{
return GetLogFileOnF(id);
}
+IPQ_DLL_EXPORT void GETOUTPUTFILENAME(int *id, char *filename, unsigned int len)
+{
+ GetOutputFileNameF(id, filename, len);
+}
IPQ_DLL_EXPORT int GETOUTPUTFILEON(int *id)
{
return GetOutputFileOnF(id);
@@ -160,6 +164,10 @@ IPQ_DLL_EXPORT int SETLOGFILEON(int *id, int *log_on)
{
return SetLogFileOnF(id, log_on);
}
+IPQ_DLL_EXPORT int SETOUTPUTFILENAME(int *id, char *filename, unsigned int len)
+{
+ return SetOutputFileNameF(id, filename, len);
+}
IPQ_DLL_EXPORT int SETOUTPUTFILEON(int *id, int *output_on)
{
return SetOutputFileOnF(id, output_on);
diff --git a/src/fwrap3.cpp b/src/fwrap3.cpp
index ae4b23fe..ed67d689 100644
--- a/src/fwrap3.cpp
+++ b/src/fwrap3.cpp
@@ -80,6 +80,10 @@ IPQ_DLL_EXPORT int getlogfileon_(int *id)
{
return GetLogFileOnF(id);
}
+IPQ_DLL_EXPORT void getoutputfilename_(int *id, char *filename, unsigned int len)
+{
+ GetOutputFileNameF(id, filename, len);
+}
IPQ_DLL_EXPORT int getoutputfileon_(int *id)
{
return GetOutputFileOnF(id);
@@ -161,6 +165,10 @@ IPQ_DLL_EXPORT int setlogfileon_(int *id, int *log_on)
{
return SetLogFileOnF(id, log_on);
}
+IPQ_DLL_EXPORT int setoutputfilename_(int *id, char *filename, unsigned int len)
+{
+ return SetOutputFileNameF(id, filename, len);
+}
IPQ_DLL_EXPORT int setoutputfileon_(int *id, int *output_on)
{
return SetOutputFileOnF(id, output_on);
diff --git a/tests/test_f.f b/tests/test_f.f
index 12e8dfc5..609a87a5 100644
--- a/tests/test_f.f
+++ b/tests/test_f.f
@@ -40,6 +40,9 @@
EXTERNAL GetDumpFileName
EXTERNAL SetDumpFileName
+
+ EXTERNAL GetOutputFileName
+ EXTERNAL SetOutputFileName
id = CreateIPhreeqc()
IF (id.LT.0) THEN
@@ -83,6 +86,13 @@ C Output
RETURN
END IF
+C Output filename
+ IF (TestGetSetName(id,GetOutputFileName,SetOutputFileName)
+ & .NE.0) THEN
+ F_MAIN = EXIT_FAILURE
+ RETURN
+ END IF
+
C Selected output
IF (TestGetSet(id,GetSelectedOutputFileOn,SetSelectedOutputFileOn)
& .NE.0) THEN
diff --git a/tests/test_f90.f90 b/tests/test_f90.f90
index c8dd4f7b..fbe1e0be 100644
--- a/tests/test_f90.f90
+++ b/tests/test_f90.f90
@@ -71,6 +71,12 @@ FUNCTION F_MAIN()
RETURN
END IF
+ ! Output filename
+ IF (TestGetSetName(id,GetOutputFileName,SetOutputFileName).NE.0) THEN
+ F_MAIN = EXIT_FAILURE
+ RETURN
+ END IF
+
! Selected output
IF (TestGetSet(id,GetSelectedOutputFileOn,SetSelectedOutputFileOn).NE.0) THEN
F_MAIN = EXIT_FAILURE
diff --git a/unit/TestIPhreeqcLib.cpp b/unit/TestIPhreeqcLib.cpp
index b024efca..1b2d7151 100644
--- a/unit/TestIPhreeqcLib.cpp
+++ b/unit/TestIPhreeqcLib.cpp
@@ -2437,3 +2437,265 @@ void TestIPhreeqcLib::TestSetDumpFileName(void)
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
}
+
+void TestIPhreeqcLib::TestSetOutputFileName(void)
+{
+ char OUTPUT_FILENAME[80];
+ sprintf(OUTPUT_FILENAME, "output.%06d.out", ::rand());
+ if (::FileExists(OUTPUT_FILENAME))
+ {
+ ::DeleteFile(OUTPUT_FILENAME);
+ }
+
+ int n = ::CreateIPhreeqc();
+ CPPUNIT_ASSERT(n >= 0);
+
+ CPPUNIT_ASSERT_EQUAL( 0, ::LoadDatabase(n, "phreeqc.dat"));
+
+ // add solution block
+ CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SOLUTION(n, 1.0, 1.0, 1.0) );
+
+ // add dump block
+ CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::DUMP(n) );
+
+ // run
+ CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetOutputFileOn(n, 1) );
+ CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetErrorFileOn(n, 0) );
+ CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetLogFileOn(n, 0) );
+ CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetSelectedOutputFileOn(n, 0) );
+ CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpStringOn(n, 0) );
+ CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpFileOn(n, 0) );
+ CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetOutputFileName(n, OUTPUT_FILENAME) );
+
+ CPPUNIT_ASSERT_EQUAL( std::string(OUTPUT_FILENAME), std::string(::GetOutputFileName(n)) );
+
+
+ CPPUNIT_ASSERT_EQUAL( 0, ::RunAccumulated(n) );
+
+ CPPUNIT_ASSERT_EQUAL( true, ::FileExists(OUTPUT_FILENAME) );
+
+ std::string lines[101];
+ std::ifstream ifs(OUTPUT_FILENAME);
+
+ size_t i = 0;
+ while (i < sizeof(lines)/sizeof(lines[0]) && std::getline(ifs, lines[i]))
+ {
+ ++i;
+ }
+
+ CPPUNIT_ASSERT_EQUAL( 98u, i );
+
+ int line = 0;
+#if defined(_MSC_VER)
+ CPPUNIT_ASSERT_EQUAL( std::string("------------------------------------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("Reading input data for simulation 1."), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("------------------------------------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" SOLUTION 1"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" C 1"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Ca 1"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Na 1"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" DUMP"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" -solution 1"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("-------------------------------------------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("Beginning of initial solution calculations."), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("-------------------------------------------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("Initial solution 1. "), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("-----------------------------Solution composition------------------------------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Elements Molality Moles"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" C 1.000e-003 1.000e-003"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Ca 1.000e-003 1.000e-003"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Na 1.000e-003 1.000e-003"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("----------------------------Description of solution----------------------------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" pH = 7.000 "), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" pe = 4.000 "), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Activity of water = 1.000"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Ionic strength = 2.896e-003"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Mass of water (kg) = 1.000e+000"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Total alkalinity (eq/kg) = 8.276e-004"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Total CO2 (mol/kg) = 1.000e-003"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Temperature (deg C) = 25.00"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Electrical balance (eq) = 2.172e-003"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Percent error, 100*(Cat-|An|)/(Cat+|An|) = 57.04"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Iterations = 6"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Total H = 1.110133e+002"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Total O = 5.550904e+001"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("----------------------------Distribution of species----------------------------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Log Log Log "), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Species Molality Activity Molality Activity Gamma"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" OH- 1.062e-007 1.001e-007 -6.974 -7.000 -0.026"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" H+ 1.056e-007 1.000e-007 -6.976 -7.000 -0.024"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" H2O 5.551e+001 9.999e-001 1.744 -0.000 0.000"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("C(-4) 0.000e+000"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" CH4 0.000e+000 0.000e+000 -67.371 -67.371 0.000"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("C(4) 1.000e-003"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" HCO3- 8.171e-004 7.714e-004 -3.088 -3.113 -0.025"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" CO2 1.733e-004 1.734e-004 -3.761 -3.761 0.000"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" CaHCO3+ 8.204e-006 7.745e-006 -5.086 -5.111 -0.025"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" CaCO3 4.779e-007 4.782e-007 -6.321 -6.320 0.000"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" CO3-2 4.555e-007 3.618e-007 -6.342 -6.442 -0.100"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" NaHCO3 4.087e-007 4.090e-007 -6.389 -6.388 0.000"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" NaCO3- 6.736e-009 6.351e-009 -8.172 -8.197 -0.026"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("Ca 1.000e-003"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Ca+2 9.913e-004 7.870e-004 -3.004 -3.104 -0.100"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" CaHCO3+ 8.204e-006 7.745e-006 -5.086 -5.111 -0.025"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" CaCO3 4.779e-007 4.782e-007 -6.321 -6.320 0.000"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" CaOH+ 1.385e-009 1.306e-009 -8.859 -8.884 -0.026"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("H(0) 1.415e-025"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" H2 7.075e-026 7.079e-026 -25.150 -25.150 0.000"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("Na 1.000e-003"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Na+ 9.996e-004 9.428e-004 -3.000 -3.026 -0.025"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" NaHCO3 4.087e-007 4.090e-007 -6.389 -6.388 0.000"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" NaCO3- 6.736e-009 6.351e-009 -8.172 -8.197 -0.026"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" NaOH 6.225e-011 6.229e-011 -10.206 -10.206 0.000"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("O(0) 0.000e+000"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" O2 0.000e+000 0.000e+000 -42.080 -42.080 0.000"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("------------------------------Saturation indices-------------------------------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Phase SI log IAP log K(298 K, 1 atm)"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Aragonite -1.21 -9.55 -8.34 CaCO3"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Calcite -1.07 -9.55 -8.48 CaCO3"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" CH4(g) -64.51 -67.37 -2.86 CH4"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" CO2(g) -2.29 -3.76 -1.47 CO2"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" H2(g) -22.00 -25.15 -3.15 H2"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" H2O(g) -1.51 -0.00 1.51 H2O"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" O2(g) -39.12 -42.08 -2.96 O2"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("------------------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("End of simulation."), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("------------------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("------------------------------------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("Reading input data for simulation 2."), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("------------------------------------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("-----------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("End of run."), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("-----------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+#endif
+
+#if defined(__GNUC__)
+ CPPUNIT_ASSERT_EQUAL( std::string("------------------------------------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("Reading input data for simulation 1."), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("------------------------------------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" SOLUTION 1"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" C 1"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Ca 1"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Na 1"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" DUMP"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" -solution 1"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("-------------------------------------------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("Beginning of initial solution calculations."), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("-------------------------------------------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("Initial solution 1. "), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("-----------------------------Solution composition------------------------------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Elements Molality Moles"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" C 1.000e-03 1.000e-03"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Ca 1.000e-03 1.000e-03"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Na 1.000e-03 1.000e-03"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("----------------------------Description of solution----------------------------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" pH = 7.000 "), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" pe = 4.000 "), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Activity of water = 1.000"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Ionic strength = 2.896e-03"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Mass of water (kg) = 1.000e+00"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Total alkalinity (eq/kg) = 8.276e-04"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Total CO2 (mol/kg) = 1.000e-03"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Temperature (deg C) = 25.00"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Electrical balance (eq) = 2.172e-03"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Percent error, 100*(Cat-|An|)/(Cat+|An|) = 57.04"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Iterations = 6"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Total H = 1.110133e+02"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Total O = 5.550904e+01"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("----------------------------Distribution of species----------------------------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Log Log Log "), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Species Molality Activity Molality Activity Gamma"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" OH- 1.062e-07 1.001e-07 -6.974 -7.000 -0.026"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" H+ 1.056e-07 1.000e-07 -6.976 -7.000 -0.024"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("C(-4) 0.000e+00"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" CH4 0.000e+00 0.000e+00 -67.371 -67.371 0.000"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("C(4) 1.000e-03"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" HCO3- 8.171e-04 7.714e-04 -3.088 -3.113 -0.025"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" CO2 1.733e-04 1.734e-04 -3.761 -3.761 0.000"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" CaHCO3+ 8.204e-06 7.745e-06 -5.086 -5.111 -0.025"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" CaCO3 4.779e-07 4.782e-07 -6.321 -6.320 0.000"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" CO3-2 4.555e-07 3.618e-07 -6.342 -6.442 -0.100"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" NaHCO3 4.087e-07 4.090e-07 -6.389 -6.388 0.000"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" NaCO3- 6.736e-09 6.351e-09 -8.172 -8.197 -0.026"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("Ca 1.000e-03"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Ca+2 9.913e-04 7.870e-04 -3.004 -3.104 -0.100"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" CaHCO3+ 8.204e-06 7.745e-06 -5.086 -5.111 -0.025"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" CaCO3 4.779e-07 4.782e-07 -6.321 -6.320 0.000"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" CaOH+ 1.385e-09 1.306e-09 -8.859 -8.884 -0.026"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("H(0) 1.415e-25"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" H2 7.075e-26 7.079e-26 -25.150 -25.150 0.000"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("Na 1.000e-03"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Na+ 9.996e-04 9.428e-04 -3.000 -3.026 -0.025"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" NaHCO3 4.087e-07 4.090e-07 -6.389 -6.388 0.000"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" NaCO3- 6.736e-09 6.351e-09 -8.172 -8.197 -0.026"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" NaOH 6.225e-11 6.229e-11 -10.206 -10.206 0.000"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("O(0) 0.000e+00"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("------------------------------Saturation indices-------------------------------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Phase SI log IAP log K(298 K, 1 atm)"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Aragonite -1.21 -9.55 -8.34 CaCO3"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" Calcite -1.07 -9.55 -8.48 CaCO3"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" CH4(g) -64.51 -67.37 -2.86 CH4"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" CO2(g) -2.29 -3.76 -1.47 CO2"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" H2(g) -22.00 -25.15 -3.15 H2"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" H2O(g) -1.51 -0.00 1.51 H2O"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(" O2(g) -39.12 -42.08 -2.96 O2"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("------------------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("End of simulation."), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("------------------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("------------------------------------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("Reading input data for simulation 2."), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("------------------------------------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("-----------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("End of run."), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string("-----------"), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+ CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
+#endif
+
+ if (::FileExists(OUTPUT_FILENAME))
+ {
+ ::DeleteFile(OUTPUT_FILENAME);
+ }
+}
diff --git a/unit/TestIPhreeqcLib.h b/unit/TestIPhreeqcLib.h
index 94b19356..b17d7de3 100644
--- a/unit/TestIPhreeqcLib.h
+++ b/unit/TestIPhreeqcLib.h
@@ -47,6 +47,7 @@ class TestIPhreeqcLib : public CppUnit::TestFixture
CPPUNIT_TEST( TestPitzer );
CPPUNIT_TEST( TestClearAccumulatedLines );
CPPUNIT_TEST( TestSetDumpFileName );
+ CPPUNIT_TEST( TestSetOutputFileName );
CPPUNIT_TEST_SUITE_END();
public:
@@ -94,6 +95,7 @@ public:
void TestPitzer(void);
void TestClearAccumulatedLines(void);
void TestSetDumpFileName(void);
+ void TestSetOutputFileName(void);
protected:
void TestOnOff(const char* FILENAME, int output_on, int error_on, int log_on, int selected_output_on, int dump_on);