1. add namespace Read_Txt_Tools

Author: PeizeLin

source/Makefile.Objects

@@ -245,6 +245,7 @@ read_rho.o\
 read_atoms.o\
 read_cell_pseudopots.o\
 read_dm.o\
+read_txt_tools.o\
 write_pot.o\
 write_rho.o\
 write_rho_cube.o\

source/src_io/CMakeLists.txt

@@ -23,6 +23,7 @@ add_library(
     print_info.cpp
     read_dm.cpp
     read_rho.cpp
+    read_txt_tools.cpp
     restart.cpp
     rwstream.cpp
     to_wannier90.cpp

source/src_io/read_txt_tools.cpp

@@ -0,0 +1,103 @@
+//=======================
+// AUTHOR : Peize Lin
+// DATE :   2021-12-08
+//=======================
+
+#include "read_txt_tools.h"
+
+#include <fstream>
+#include <sstream>
+#include <algorithm>
+
+namespace Read_Txt_Tools
+{
+	// {
+	//  	INPUT_PARAMETERS:       [1.0],
+	//  	ecutwfc:        		[200, Ry]
+	// }
+	std::map<std::string, std::vector<std::string>> read_file_to_map(
+		const std::string &file_name,
+		const std::set<std::string> &comment_seps)
+	{
+		std::string str;
+		std::ifstream ifs(file_name);
+		std::map<std::string, std::vector<std::string>> m;
+		while(ifs.good())
+		{
+			std::getline(ifs,str);
+			const std::vector<std::string> vec = Read_Txt_Tools::split_whitespace(Read_Txt_Tools::ignore_comment(str, comment_seps));
+			if(vec.size()>0)
+				m[vec[0]] = std::vector<std::string>(vec.begin()+1, vec.end());
+		}
+		return m;
+	}
+
+
+
+	// [
+	//  	[INPUT_PARAMETERS, 1.0],
+	//  	[ecutwfc, 200, Ry]
+	// ]
+	std::vector<std::vector<std::string>> read_file_to_vector(
+		const std::string &file_name,
+		const std::set<std::string> &comment_seps)
+	{
+		std::string str;
+		std::ifstream ifs(file_name);
+		std::vector<std::vector<std::string>> vec_all;
+		while(ifs.good())
+		{
+			std::getline(ifs,str);
+			const std::vector<std::string> vec = Read_Txt_Tools::split_whitespace(Read_Txt_Tools::ignore_comment(str, comment_seps));
+			if(vec.size()>0)
+				vec_all.push_back(vec);
+		}
+		return vec_all;
+	}
+
+
+
+	// [ecutwfc, 200, Ry]
+	std::vector<std::string> split_whitespace(const std::string &str)
+	{
+		std::stringstream ss;
+		ss<<str;
+		std::vector<std::string> vec;
+		std::string s;
+		while(ss>>s)
+			vec.push_back(s);
+		return vec;
+	}
+
+
+
+	// str:
+	//		ecutwfc 200 Ry # XXX
+	// return:
+	//		ecutwfc 200 Ry
+	std::string ignore_comment(const std::string &str, const std::set<std::string> &comment_seps)
+	{
+		std::string str_new = str;
+		for(const std::string &sep : comment_seps)
+			str_new = str_new.substr(0, str_new.find(sep));
+		return str_new;
+	}
+
+
+
+	// return_prefix + content_new = content_old
+	std::vector<std::vector<std::string>> cut_paragraph(
+		std::vector<std::vector<std::string>> &content,
+		const std::set<std::string> &labels)
+	{
+		std::vector<std::vector<std::string>>::iterator ptr=content.begin()+1;
+		for(; ptr<content.end(); ++ptr)
+		{
+			if(std::find(labels.begin(), labels.end(), (*ptr)[0]) != labels.end())
+				break;
+		}
+		const std::vector<std::vector<std::string>> prefix = std::vector<std::vector<std::string>>(content.begin(), ptr);
+		content = std::vector<std::vector<std::string>>(ptr, content.end());
+		return prefix;
+	}
+}

source/src_io/read_txt_tools.h

@@ -0,0 +1,68 @@
+//=======================
+// AUTHOR : Peize Lin
+// DATE :   2021-12-08
+//=======================
+
+#ifndef READ_TXT_TOOLS_H
+#define READ_TXT_TOOLS_H
+
+#include <vector>
+#include <map>
+#include <set>
+#include <string>
+
+namespace Read_Txt_Tools
+{
+	// {
+	//  	INPUT_PARAMETERS:       [1.0],
+	//  	ecutwfc:        		[200, Ry]
+	// }
+	std::map<std::string, std::vector<std::string>> read_file_to_map(
+		const std::string &file_name,
+		const std::set<std::string> &comment_seps);
+
+
+	// [
+	//  	[INPUT_PARAMETERS, 1.0],
+	//  	[ecutwfc, 200, Ry]
+	// ]
+	std::vector<std::vector<std::string>> read_file_to_vector(
+		const std::string &file_name,
+		const std::set<std::string> &comment_seps);
+
+
+	// [ecutwfc, 200, Ry]
+	std::vector<std::string> split_whitespace(const std::string &str);
+
+
+	// str:
+	//		ecutwfc 200 Ry # XXX
+	// return:
+	//		ecutwfc 200 Ry
+	std::string ignore_comment(const std::string &str, const std::set<std::string> &comment_seps);
+
+
+	// return_prefix + content_new = content_old
+	std::vector<std::vector<std::string>> cut_paragraph(
+		std::vector<std::vector<std::string>> &content,
+		const std::set<std::string> &labels);
+
+
+	// data_v:
+	//	[
+	//		[INPUT_PARAMETERS, 1.0],
+	//		[ecutwfc, 200, Ry]
+	//	]
+	// return:
+	//	[INPUT_PARAMETERS, 1.0, ecutwfc, 200, Ry]
+	template<typename T>
+	std::vector<T> chain(const std::vector<std::vector<T>> &data_v)
+	{
+		std::vector<T> data_chain;
+		for(const std::vector<T> & data_i : data_v)
+			data_chain.insert(data_chain.end(), data_i.begin(), data_i.end());
+		return data_chain;
+	}	
+}
+
+#endif