Merge commit '50016849a03a70eeb0f714f23a3b56f1983a8189'

phreeqcpp/.gitlab-ci.yml

@@ -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

phreeqcpp/PBasic.cpp

@@ -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)
@@ -2275,21 +2289,21 @@ factor(struct LOC_exec * LINK)
 
 	case tokact:
 	{
-			const char * str = stringfactor(STR1, LINK);
+		const char* str = stringfactor(STR1, LINK);
 		n.UU.val = (parse_all) ? 1 : PhreeqcPtr->activity(str);
 	}
 	break;
 
 	case tokgamma:
 	{
-			const char * str = stringfactor(STR1, LINK);
+		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);
+		const char* str = stringfactor(STR1, LINK);
 		n.UU.val = (parse_all) ? 1 : PhreeqcPtr->log_activity_coefficient(str);
 	}
 	break;
@@ -2356,28 +2370,28 @@ factor(struct LOC_exec * LINK)
 
 	case tokequi:
 	{
-			const char * str = stringfactor(STR1, LINK);
+		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);
+		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);
+		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);
+		const char* str = stringfactor(STR1, LINK);
 		n.UU.val = (parse_all) ? 1 : PhreeqcPtr->kinetics_moles_delta(str);
 	}
 	break;
@@ -2390,28 +2404,28 @@ factor(struct LOC_exec * LINK)
 
 	case tokgas:
 	{
-			const char * str = stringfactor(STR1, LINK);
+		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);
+		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);
+		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);
+		const char* str = stringfactor(STR1, LINK);
 		n.UU.val = (parse_all) ? 1 : PhreeqcPtr->find_misc2(str);
 	}
 	break;
@@ -2437,21 +2451,21 @@ factor(struct LOC_exec * LINK)
 
 	case toklk_species:
 	{
-			const char * str = stringfactor(STR1, LINK);
+		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);
+		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);
+		const char* str = stringfactor(STR1, LINK);
 		n.UU.val = (parse_all) ? 1 : PhreeqcPtr->calc_logk_p(str);
 	}
 	break;
@@ -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;
@@ -2611,7 +2625,7 @@ factor(struct LOC_exec * LINK)
 
 	case tokiso:
 	{
-			const char * str = stringfactor(STR1, LINK);
+		const char* str = stringfactor(STR1, LINK);
 		n.UU.val = (parse_all) ? 1 : PhreeqcPtr->iso_value(str);
 	}
 	break;
@@ -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')
@@ -5031,44 +5068,72 @@ cmdpunch(struct LOC_exec *LINK)
 		bool temp_high_precision = (PhreeqcPtr->current_selected_output != NULL) ?
 			PhreeqcPtr->current_selected_output->Get_high_precision() :
 			PhreeqcPtr->high_precision;
+		if (!this->skip_punch)
+		{
 			if (n.stringval)
 			{
-/*      fputs(n.UU.sval, stdout); */
+				/*      fputs(n.UU.sval, stdout); */
-
+				{
 					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);
+				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->fpunchf_user(PhreeqcPtr->n_user_punch_index, "%20.12e\t", (double)n.UU.val);
 			}
+			punch_tab = true;
 			++PhreeqcPtr->n_user_punch_index;
 		}
+		this->skip_punch = false;
+	}
 }
 
 #if defined PHREEQ98 
@@ -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),

phreeqcpp/PBasic.h

@@ -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 */

phreeqcpp/SelectedOutput.cpp

@@ -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
 	//

phreeqcpp/SelectedOutput.h

@@ -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;

phreeqcpp/common/.gitlab-ci.yml

@@ -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

phreeqcpp/print.cpp

@@ -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