Remove strtok from reader_native.cpp (7d8dcb0f) · Commits · 郑智淋 / lammps

src/reader_native.cpp

+43 −52

Original line number	Diff line number	Diff line
		@@ -18,6 +18,7 @@
		#include "memory.h"
		#include "error.h"
		#include "utils.h"
		#include "tokenizer.h"

		using namespace LAMMPS_NS;

		@@ -33,7 +34,6 @@ enum{UNSET,NOSCALE_NOWRAP,NOSCALE_WRAP,SCALE_NOWRAP,SCALE_WRAP};
		ReaderNative::ReaderNative(LAMMPS *lmp) : Reader(lmp)
		{
		line = new char[MAXLINE];
		words = NULL;
		fieldindex = NULL;
		}

		@@ -42,7 +42,6 @@ ReaderNative::ReaderNative(LAMMPS *lmp) : Reader(lmp)
		ReaderNative::~ReaderNative()
		{
		delete [] line;
		delete [] words;
		memory->destroy(fieldindex);
		}

		@@ -162,20 +161,17 @@ bigint ReaderNative::read_header(double box[3][3], int &boxinfo, int &triclinic,

		char *labelline = &line[strlen("ITEM: ATOMS ")];

		nwords = utils::trim_and_count_words(labelline);
		char *labels = new char[nwords];
		labels[0] = strtok(labelline," \t\n\r\f");
		if (labels[0] == NULL) {
		delete[] labels;
		return 1;
		std::map<std::string, int> labels;
		Tokenizer tokens(labelline);
		nwords = 0;

		while(tokens.has_next()) {
		labels[tokens.next()] = nwords++;
		}
		for (int m = 1; m < nwords; m++) {
		labels[m] = strtok(NULL," \t\n\r\f");
		if (labels[m] == NULL) {
		delete[] labels;

		if(nwords == 0) {
		return 1;
		}
		}

		// match each field with a column of per-atom data
		// if fieldlabel set, match with explicit column
		@@ -191,25 +187,25 @@ bigint ReaderNative::read_header(double box[3][3], int &boxinfo, int &triclinic,

		for (int i = 0; i < nfield; i++) {
		if (fieldlabel[i]) {
		fieldindex[i] = find_label(fieldlabel[i],nwords,labels);
		fieldindex[i] = find_label(fieldlabel[i], labels);
		if (fieldtype[i] == X) xflag = 2*scaleflag + wrapflag + 1;
		else if (fieldtype[i] == Y) yflag = 2*scaleflag + wrapflag + 1;
		else if (fieldtype[i] == Z) zflag = 2*scaleflag + wrapflag + 1;
		}

		else if (fieldtype[i] == ID)
		fieldindex[i] = find_label("id",nwords,labels);
		fieldindex[i] = find_label("id", labels);
		else if (fieldtype[i] == TYPE)
		fieldindex[i] = find_label("type",nwords,labels);
		fieldindex[i] = find_label("type", labels);

		else if (fieldtype[i] == X) {
		fieldindex[i] = find_label("x",nwords,labels);
		fieldindex[i] = find_label("x", labels);
		xflag = NOSCALE_WRAP;
		if (fieldindex[i] < 0) {
		fieldindex[i] = nwords;
		s_index = find_label("xs",nwords,labels);
		u_index = find_label("xu",nwords,labels);
		su_index = find_label("xsu",nwords,labels);
		s_index = find_label("xs", labels);
		u_index = find_label("xu", labels);
		su_index = find_label("xsu", labels);
		if (s_index >= 0 && s_index < fieldindex[i]) {
		fieldindex[i] = s_index;
		xflag = SCALE_WRAP;
		@@ -226,13 +222,13 @@ bigint ReaderNative::read_header(double box[3][3], int &boxinfo, int &triclinic,
		if (fieldindex[i] == nwords) fieldindex[i] = -1;

		} else if (fieldtype[i] == Y) {
		fieldindex[i] = find_label("y",nwords,labels);
		fieldindex[i] = find_label("y", labels);
		yflag = NOSCALE_WRAP;
		if (fieldindex[i] < 0) {
		fieldindex[i] = nwords;
		s_index = find_label("ys",nwords,labels);
		u_index = find_label("yu",nwords,labels);
		su_index = find_label("ysu",nwords,labels);
		s_index = find_label("ys", labels);
		u_index = find_label("yu", labels);
		su_index = find_label("ysu", labels);
		if (s_index >= 0 && s_index < fieldindex[i]) {
		fieldindex[i] = s_index;
		yflag = SCALE_WRAP;
		@@ -249,13 +245,13 @@ bigint ReaderNative::read_header(double box[3][3], int &boxinfo, int &triclinic,
		if (fieldindex[i] == nwords) fieldindex[i] = -1;

		} else if (fieldtype[i] == Z) {
		fieldindex[i] = find_label("z",nwords,labels);
		fieldindex[i] = find_label("z", labels);
		zflag = NOSCALE_WRAP;
		if (fieldindex[i] < 0) {
		fieldindex[i] = nwords;
		s_index = find_label("zs",nwords,labels);
		u_index = find_label("zu",nwords,labels);
		su_index = find_label("zsu",nwords,labels);
		s_index = find_label("zs", labels);
		u_index = find_label("zu", labels);
		su_index = find_label("zsu", labels);
		if (s_index >= 0 && s_index < fieldindex[i]) {
		fieldindex[i] = s_index;
		zflag = SCALE_WRAP;
		@@ -272,42 +268,36 @@ bigint ReaderNative::read_header(double box[3][3], int &boxinfo, int &triclinic,
		if (fieldindex[i] == nwords) fieldindex[i] = -1;

		} else if (fieldtype[i] == VX)
		fieldindex[i] = find_label("vx",nwords,labels);
		fieldindex[i] = find_label("vx", labels);
		else if (fieldtype[i] == VY)
		fieldindex[i] = find_label("vy",nwords,labels);
		fieldindex[i] = find_label("vy", labels);
		else if (fieldtype[i] == VZ)
		fieldindex[i] = find_label("vz",nwords,labels);
		fieldindex[i] = find_label("vz", labels);

		else if (fieldtype[i] == FX)
		fieldindex[i] = find_label("fx",nwords,labels);
		fieldindex[i] = find_label("fx", labels);
		else if (fieldtype[i] == FY)
		fieldindex[i] = find_label("fy",nwords,labels);
		fieldindex[i] = find_label("fy", labels);
		else if (fieldtype[i] == FZ)
		fieldindex[i] = find_label("fz",nwords,labels);
		fieldindex[i] = find_label("fz", labels);

		else if (fieldtype[i] == Q)
		fieldindex[i] = find_label("q",nwords,labels);
		fieldindex[i] = find_label("q", labels);

		else if (fieldtype[i] == IX)
		fieldindex[i] = find_label("ix",nwords,labels);
		fieldindex[i] = find_label("ix", labels);
		else if (fieldtype[i] == IY)
		fieldindex[i] = find_label("iy",nwords,labels);
		fieldindex[i] = find_label("iy", labels);
		else if (fieldtype[i] == IZ)
		fieldindex[i] = find_label("iz",nwords,labels);
		fieldindex[i] = find_label("iz", labels);
		}

		delete [] labels;

		// set fieldflag = -1 if any unfound fields

		fieldflag = 0;
		for (int i = 0; i < nfield; i++)
		if (fieldindex[i] < 0) fieldflag = -1;

		// create internal vector of word ptrs for future parsing of per-atom lines

		words = new char*[nwords];

		return natoms;
		}

		@@ -328,15 +318,14 @@ void ReaderNative::read_atoms(int n, int nfield, double **fields)
		if (eof == NULL) error->one(FLERR,"Unexpected end of dump file");

		// tokenize the line
		std::vector<std::string> words = Tokenizer(line).as_vector();

		words[0] = strtok(line," \t\n\r\f");
		for (m = 1; m < nwords; m++)
		words[m] = strtok(NULL," \t\n\r\f");
		if (words.size() < nwords) error->one(FLERR,"Insufficient columns in dump file");

		// convert selected fields to floats

		for (m = 0; m < nfield; m++)
		fields[i][m] = atof(words[fieldindex[m]]);
		fields[i][m] = atof(words[fieldindex[m]].c_str());
		}
		}

		@@ -345,10 +334,12 @@ void ReaderNative::read_atoms(int n, int nfield, double **fields)
		return index of match or -1 if no match
		------------------------------------------------------------------------- */

		int ReaderNative::find_label(const char label, int n, char *labels)
		int ReaderNative::find_label(const std::string & label, const std::map<std::string, int> & labels)
		{
		for (int i = 0; i < n; i++)
		if (strcmp(label,labels[i]) == 0) return i;
		auto it = labels.find(label);
		if (it != labels.end()) {
		return it->second;
		}
		return -1;
		}

src/reader_native.h

+4 −2

Original line number	Diff line number	Diff line
		@@ -23,6 +23,9 @@ ReaderStyle(native,ReaderNative)
		#define LMP_READER_NATIVE_H

		#include "reader.h"
		#include <string>
		#include <map>
		#include <vector>

		namespace LAMMPS_NS {

		@@ -41,10 +44,9 @@ private:
		char *line; // line read from dump file

		int nwords; // # of per-atom columns in dump file
		char **words; // ptrs to values in parsed per-atom line
		int *fieldindex; //

		int find_label(const char , int, char *);
		int find_label(const std::string & label, const std::map<std::string, int> & labels);
		void read_lines(int);
		};

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