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Merge commit '50016849a03a70eeb0f714f23a3b56f1983a8189'

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This commit is contained in:
Darth Vader 2020-12-02 01:05:29 +00:00
commit fa25db5da9
7 changed files with 197 additions and 120 deletions
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2
phreeqcpp/.gitlab-ci.yml
View File

@ -2,7 +2,7 @@
# https://code.chs.usgs.gov/coupled/subtrees/phreeqc3-src
# SRC 2020-01-28T10:03:39-07:00
#
image: buildpack-deps:bionic-scm
image: ${CI_REGISTRY}/coupled/containers/buildpack-deps:bionic-scm
stages:
- sync

300
phreeqcpp/PBasic.cpp
View File

@ -64,6 +64,8 @@ PBasic::PBasic(Phreeqc * ptr, PHRQ_io *phrq_io)
nIDErrPrompt = (PBasic::IDErr)0;
#endif
nErrLineNumber = 0;
punch_tab = true;
skip_punch = false;
// Basic commands initialized at bottom of file
}
PBasic::~PBasic(void)
@ -1091,6 +1093,14 @@ listtokens(FILE * f, tokenrec * l_buf)
output_msg("EOL$");
break;
case tokeol_notab_:
output_msg("EOL_NOTAB$");
break;
case tokno_newline_:
output_msg("NO_NEWLINE$");
break;
case tokasc:
output_msg("ASC");
break;
@ -1413,6 +1423,10 @@ listtokens(FILE * f, tokenrec * l_buf)
output_msg("SYS");
break;
case tokadd_heading:
output_msg("ADD_HEADING");
break;
case tokinstr:
output_msg("INSTR");
break;
@ -2104,10 +2118,10 @@ factor(struct LOC_exec * LINK)
case tokstr:
n.stringval = true;
m = (int) strlen(facttok->UU.sp) + 1;
m = (int)strlen(facttok->UU.sp) + 1;
if (m < 256)
m = 256;
n.UU.sval = (char *) PhreeqcPtr->PHRQ_calloc(m, sizeof(char));
n.UU.sval = (char*)PhreeqcPtr->PHRQ_calloc(m, sizeof(char));
if (n.UU.sval == NULL)
PhreeqcPtr->malloc_error();
strcpy(n.UU.sval, facttok->UU.sp);
@ -2121,7 +2135,7 @@ factor(struct LOC_exec * LINK)
{
if (*v->UU.U1.sval != NULL)
{
m = (int) strlen(*v->UU.U1.sval) + 1;
m = (int)strlen(*v->UU.U1.sval) + 1;
if (m < 256)
m = 256;
}
@ -2129,7 +2143,7 @@ factor(struct LOC_exec * LINK)
{
m = 256;
}
n.UU.sval = (char *) PhreeqcPtr->PHRQ_calloc(m, sizeof(char));
n.UU.sval = (char*)PhreeqcPtr->PHRQ_calloc(m, sizeof(char));
if (n.UU.sval == NULL)
PhreeqcPtr->malloc_error();
if (*v->UU.U1.sval != NULL)
@ -2274,25 +2288,25 @@ factor(struct LOC_exec * LINK)
break;
case tokact:
{
const char * str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->activity(str);
}
break;
{
const char* str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->activity(str);
}
break;
case tokgamma:
{
const char * str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->activity_coefficient(str);
}
break;
{
const char* str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->activity_coefficient(str);
}
break;
case toklg:
{
const char * str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->log_activity_coefficient(str);
}
break;
{
const char* str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->log_activity_coefficient(str);
}
break;
case tokget_por:
i = intfactor(LINK);
@ -2355,66 +2369,66 @@ factor(struct LOC_exec * LINK)
break;
case tokequi:
{
const char * str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->equi_phase(str);
}
break;
{
const char* str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->equi_phase(str);
}
break;
case tokequi_delta:
{
const char * str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->equi_phase_delta(str);
}
break;
{
const char* str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->equi_phase_delta(str);
}
break;
case tokkin:
{
const char * str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->kinetics_moles(str);
}
break;
{
const char* str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->kinetics_moles(str);
}
break;
case tokkin_delta:
{
const char * str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->kinetics_moles_delta(str);
}
break;
{
const char* str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->kinetics_moles_delta(str);
}
break;
case tokkin_time:
{
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->rate_kin_time;
}
break;
{
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->rate_kin_time;
}
break;
case tokgas:
{
const char * str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->find_gas_comp(str);
}
break;
{
const char* str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->find_gas_comp(str);
}
break;
case toks_s:
{
const char * str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->find_ss_comp(str);
}
break;
{
const char* str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->find_ss_comp(str);
}
break;
case tokmisc1:
{
const char * str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->find_misc1(str);
}
break;
{
const char* str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->find_misc1(str);
}
break;
case tokmisc2:
{
const char * str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->find_misc2(str);
}
break;
{
const char* str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->find_misc2(str);
}
break;
case tokmu:
n.UU.val = PhreeqcPtr->mu_x;
@ -2436,25 +2450,25 @@ factor(struct LOC_exec * LINK)
break;
case toklk_species:
{
const char * str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->calc_logk_s(str);
}
break;
{
const char* str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->calc_logk_s(str);
}
break;
case toklk_named:
{
const char * str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->calc_logk_n(str);
}
break;
{
const char* str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->calc_logk_n(str);
}
break;
case toklk_phase:
{
const char * str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->calc_logk_p(str);
}
break;
{
const char* str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->calc_logk_p(str);
}
break;
case toksum_species:
require(toklp, LINK);
@ -2522,7 +2536,7 @@ factor(struct LOC_exec * LINK)
}
else
{
soln_ptr = Utilities::Rxn_find(PhreeqcPtr->Rxn_solution_map,
soln_ptr = Utilities::Rxn_find(PhreeqcPtr->Rxn_solution_map,
PhreeqcPtr->use.Get_n_solution_user());
if (soln_ptr != NULL)
{
@ -2570,14 +2584,14 @@ factor(struct LOC_exec * LINK)
string2 = stringfactor(STR2, LINK);
require(tokrp, LINK);
{
const char * cptr = strstr(string1, string2);
const char* cptr = strstr(string1, string2);
if (cptr == NULL)
{
n.UU.val = 0;
}
else
{
n.UU.val = ((LDBLE) (cptr - string1)) + 1;
n.UU.val = ((LDBLE)(cptr - string1)) + 1;
}
}
break;
@ -2610,11 +2624,11 @@ factor(struct LOC_exec * LINK)
break;
case tokiso:
{
const char * str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->iso_value(str);
}
break;
{
const char* str = stringfactor(STR1, LINK);
n.UU.val = (parse_all) ? 1 : PhreeqcPtr->iso_value(str);
}
break;
case tokiso_unit:
n.stringval = true;
@ -2635,6 +2649,14 @@ factor(struct LOC_exec * LINK)
n.UU.sval = PhreeqcPtr->string_pad(string1, i);
break;
case tokadd_heading:
require(toklp, LINK);
name = stringfactor(STR1, LINK);
require(tokrp, LINK);
PhreeqcPtr->current_user_punch->Get_headings().push_back(name);
n.UU.val = (parse_all) ? 1 : (double)PhreeqcPtr->current_user_punch->Get_headings().size();
break;
case toksys:
require(toklp, LINK);
elt_name = stringfactor(STR1, LINK);
@ -4098,6 +4120,21 @@ factor(struct LOC_exec * LINK)
strcpy(n.UU.sval, "\n");
break;
case tokeol_notab_:
n.stringval = true;
n.UU.sval = (char*)PhreeqcPtr->PHRQ_calloc(256, sizeof(char));
if (n.UU.sval == NULL)
PhreeqcPtr->malloc_error();
strcpy(n.UU.sval, "\n");
punch_tab = false;
break;
case tokno_newline_:
n.stringval = true;
PhreeqcPtr->current_selected_output->Set_punch_newline(false);
this->skip_punch = true;
break;
case tokasc:
l_s = strfactor(LINK);
if (*l_s == '\0')
@ -5028,46 +5065,74 @@ cmdpunch(struct LOC_exec *LINK)
continue;
}
n = expr(LINK);
bool temp_high_precision = (PhreeqcPtr->current_selected_output != NULL) ?
PhreeqcPtr->current_selected_output->Get_high_precision() :
bool temp_high_precision = (PhreeqcPtr->current_selected_output != NULL) ?
PhreeqcPtr->current_selected_output->Get_high_precision() :
PhreeqcPtr->high_precision;
if (n.stringval)
if (!this->skip_punch)
{
/* fputs(n.UU.sval, stdout); */
if (!temp_high_precision)
if (n.stringval)
{
if (strlen(n.UU.sval) <= 12)
/* fputs(n.UU.sval, stdout); */
{
PhreeqcPtr->fpunchf_user(PhreeqcPtr->n_user_punch_index, "%12.12s\t", n.UU.sval);
}
else
{
PhreeqcPtr->fpunchf_user(PhreeqcPtr->n_user_punch_index, "%s\t", n.UU.sval);
if (!temp_high_precision)
{
if (strlen(n.UU.sval) <= 12)
{
if (punch_tab)
{
PhreeqcPtr->fpunchf_user(PhreeqcPtr->n_user_punch_index, "%12.12s\t", n.UU.sval);
}
else {
PhreeqcPtr->fpunchf_user(PhreeqcPtr->n_user_punch_index, "%12.12s", n.UU.sval);
}
}
else
{
if (punch_tab)
{
PhreeqcPtr->fpunchf_user(PhreeqcPtr->n_user_punch_index, "%s\t", n.UU.sval);
}
else {
PhreeqcPtr->fpunchf_user(PhreeqcPtr->n_user_punch_index, "%s", n.UU.sval);
}
}
}
else
{
if (strlen(n.UU.sval) <= 20)
{
if (punch_tab) {
PhreeqcPtr->fpunchf_user(PhreeqcPtr->n_user_punch_index, "%20.20s\t", n.UU.sval);
}
else {
PhreeqcPtr->fpunchf_user(PhreeqcPtr->n_user_punch_index, "%20.20s", n.UU.sval);
}
}
else
{
if (punch_tab) {
PhreeqcPtr->fpunchf_user(PhreeqcPtr->n_user_punch_index, "%s\t", n.UU.sval);
}
else {
PhreeqcPtr->fpunchf_user(PhreeqcPtr->n_user_punch_index, "%s", n.UU.sval);
}
}
}
}
PhreeqcPtr->PHRQ_free(n.UU.sval);
}
else if (!temp_high_precision)
{
PhreeqcPtr->fpunchf_user(PhreeqcPtr->n_user_punch_index, "%12.4e\t", (double)n.UU.val);
}
else
{
if (strlen(n.UU.sval) <= 20)
{
PhreeqcPtr->fpunchf_user(PhreeqcPtr->n_user_punch_index, "%20.20s\t", n.UU.sval);
}
else
{
PhreeqcPtr->fpunchf_user(PhreeqcPtr->n_user_punch_index, "%s\t", n.UU.sval);
}
PhreeqcPtr->fpunchf_user(PhreeqcPtr->n_user_punch_index, "%20.12e\t", (double)n.UU.val);
}
PhreeqcPtr->PHRQ_free(n.UU.sval);
punch_tab = true;
++PhreeqcPtr->n_user_punch_index;
}
else if (!temp_high_precision)
{
PhreeqcPtr->fpunchf_user(PhreeqcPtr->n_user_punch_index, "%12.4e\t", (double) n.UU.val);
}
else
{
PhreeqcPtr->fpunchf_user(PhreeqcPtr->n_user_punch_index, "%20.12e\t", (double) n.UU.val);
}
++PhreeqcPtr->n_user_punch_index;
this->skip_punch = false;
}
}
@ -7253,6 +7318,8 @@ const std::map<const std::string, PBasic::BASIC_TOKEN>::value_type temp_tokens[]
std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("val", PBasic::tokval),
std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("chr$", PBasic::tokchr_),
std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("eol$", PBasic::tokeol_),
std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("eol_notab$", PBasic::tokeol_notab_),
std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("no_newline$", PBasic::tokno_newline_),
std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("asc", PBasic::tokasc),
std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("len", PBasic::toklen),
std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("mid$", PBasic::tokmid_),
@ -7332,6 +7399,7 @@ const std::map<const std::string, PBasic::BASIC_TOKEN>::value_type temp_tokens[]
std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("description", PBasic::tokdescription),
std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("title", PBasic::toktitle),
std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("sys", PBasic::toksys),
std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("add_heading", PBasic::tokadd_heading),
std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("instr", PBasic::tokinstr),
std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("ltrim", PBasic::tokltrim),
std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("rtrim", PBasic::tokrtrim),

5
phreeqcpp/PBasic.h
View File

@ -266,6 +266,7 @@ public:
tokdescription,
toktitle,
toksys,
tokadd_heading,
tokinstr,
tokltrim,
tokrtrim,
@ -298,6 +299,8 @@ public:
toktotmol,
toktotmoles,
tokeol_,
tokeol_notab_,
tokno_newline_,
tokceil,
tokfloor,
tokkinetics_formula,
@ -547,6 +550,8 @@ protected:
IDErr nIDErrPrompt;
#endif
int nErrLineNumber;
bool punch_tab;
bool skip_punch;
};
#endif /* _INC_PBasic_H */

1
phreeqcpp/SelectedOutput.cpp
View File

@ -39,6 +39,7 @@ SelectedOutput::SelectedOutput(int n, PHRQ_io *io)
this->charge_balance = false;
this->percent_error = false;
this->new_line = true;
this->punch_newline = true;
// as-is set flags
//

3
phreeqcpp/SelectedOutput.h
View File

@ -83,6 +83,7 @@ public:
inline bool Get_charge_balance(void)const {return this->charge_balance;}
inline bool Get_percent_error(void)const {return this->percent_error;}
inline bool Get_new_line(void)const {return this->new_line; }
inline bool Get_punch_newline(void)const {return this->punch_newline; }
// as-is setters
inline void Set_user_punch(bool tf) {this->user_punch = tf; this->set_user_punch = true;}
@ -107,6 +108,7 @@ public:
inline void Set_charge_balance(bool tf) {this->charge_balance = tf; this->set_charge_balance = true;}
inline void Set_percent_error(bool tf) {this->percent_error = tf; this->set_percent_error = true;}
inline void Set_new_line(bool tf) {this->new_line = tf; this->set_new_line = true;}
inline void Set_punch_newline(bool tf) {this->punch_newline = tf; this->set_new_line = true; }
// set flag getters
inline bool was_set_user_punch()const {return this->set_user_punch;}
@ -181,6 +183,7 @@ protected:
bool charge_balance;
bool percent_error;
bool new_line;
bool punch_newline;
// as-is set flags
bool set_user_punch;

2
phreeqcpp/common/.gitlab-ci.yml
View File

@ -2,7 +2,7 @@
# https://code.chs.usgs.gov/coupled/subtrees/phreeqc3-src-common
# SRC 2020-01-28T10:03:39-07:00
#
image: buildpack-deps:bionic-scm
image: ${CI_REGISTRY}/coupled/containers/buildpack-deps:bionic-scm
stages:
- trigger

4
phreeqcpp/print.cpp
View File

@ -180,7 +180,6 @@ punch_all(void)
// UserPunch
std::map < int, UserPunch >::iterator up_it = UserPunch_map.find(current_selected_output->Get_n_user());
current_user_punch = up_it == UserPunch_map.end() ? NULL : &(up_it->second);
punch_identifiers();
punch_totals();
punch_molalities();
@ -196,8 +195,9 @@ punch_all(void)
/*
* new line for punch_file
*/
if (current_selected_output->Get_new_line())
if (current_selected_output->Get_new_line() && current_selected_output->Get_punch_newline())
punch_msg("\n");
current_selected_output->Set_punch_newline(true);
/*
* signal end of row