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// Copyright 2017 Global Phasing Ltd.
// TODO: better handling of multi-line text values
#include "gemmi/cif.hpp"
#include "gemmi/gz.hpp"
#include "gemmi/dirwalk.hpp"
#include "gemmi/pdb_id.hpp" // for is_pdb_code, expand_if_pdb_code
#include "gemmi/util.hpp" // for replace_all
#include <cstdio>
#include <cstring>
#include <regex>
#include <stdexcept>
#include <string>
#define GEMMI_PROG grep
#include "options.h"
using std::printf;
using std::fprintf;
namespace pegtl = tao::pegtl;
namespace cif = gemmi::cif;
namespace rules = gemmi::cif::rules;
namespace {
enum OptionIndex {
FromFile=4, NamePattern, PdbDirSf, Recurse, MaxCount, OneBlock,
ExtRegexp, And,
Delim, WithFileName, NoBlockName, WithLineNumbers, WithTag,
OnlyTags, Summarize, MatchingFiles, NonMatchingFiles, Count, Raw
};
const option::Descriptor Usage[] = {
{ NoOp, 0, "", "", Arg::None,
"Usage: " EXE_NAME " [options] TAG FILE_OR_DIR_OR_PDBID[...]\n"
" " EXE_NAME " -f FILE [options] TAG\n"
"Search for TAG in CIF files."
"\nBy default, recursive directory search checks only *.cif(.gz) files."
"\nTo change it, specify --name=* or --name=*.hkl."
"\nBy default (without -E), TAG it a tag or a glob pattern. Must start with _."
"\n\nOptions:" },
{ Help, 0, "h", "help", Arg::None,
" -h, --help \tdisplay this help and exit" },
{ Version, 0, "V", "version", Arg::None,
" -V, --version \tdisplay version information and exit" },
{ Verbose, 0, "v", "verbose", Arg::None,
" -v, --verbose \tprint additional messages to stderr" },
{ FromFile, 0, "f", "file", Arg::Required,
" -f, --file=FILE \tobtain file (or PDB ID) list from FILE" },
{ NamePattern, 0, "", "name", Arg::Required,
" --name=PATTERN \tfilename glob pattern used in recursive grep;"
" by default, *.cif and *.cif.gz files are searched" },
{ PdbDirSf, 0, "S", "pdb-sf", Arg::None,
" -S, --pdb-sf \tif PDB ID is given, search structure factor file" },
{ MaxCount, 0, "m", "max-count", Arg::Int,
" -m, --max-count=NUM \tprint max NUM values per file" },
{ OneBlock, 0, "O", "one-block", Arg::None,
" -O, --one-block \toptimize assuming one block per file" },
{ ExtRegexp, 0, "E", "extended-regexp", Arg::None,
" -E, --extended-regexp \tinterpret TAG as egrep-like regular expression" },
{ And, 0, "a", "and", Arg::Required,
" -a, --and=tag \tAppend delimiter (default ';') and the tag value" },
{ Delim, 0, "d", "delimiter", Arg::Required,
" -d, --delimiter=DELIM \tCSV-like output with specified delimiter" },
{ WithLineNumbers, 0, "n", "line-number", Arg::None,
" -n, --line-number \tprint line number with output lines" },
{ WithFileName, 0, "H", "with-filename", Arg::None,
" -H, --with-filename \tprint the file name for each match" },
{ NoBlockName, 0, "b", "no-blockname", Arg::None,
" -b, --no-blockname \tsuppress the block name on output" },
{ WithTag, 0, "t", "with-tag", Arg::None,
" -t, --with-tag \tprint the tag name for each match" },
{ OnlyTags, 0, "T", "only-tags", Arg::None,
" -T, --only-tags \tprint only matching tags, not values" },
{ MatchingFiles, 0, "l", "files-with-tag", Arg::None,
" -l, --files-with-tag \tprint only names of files with the tag" },
{ NonMatchingFiles, 0, "L", "files-without-tag", Arg::None,
" -L, --files-without-tag \tprint only names of files without the tag" },
{ Count, 0, "c", "count", Arg::None,
" -c, --count \tprint only a count of values per block or file" },
{ Recurse, 0, "r", "recursive", Arg::None,
" -r, --recursive \tignored (directories are always recursed)" },
{ Raw, 0, "w", "raw", Arg::None,
" -w, --raw \tinclude '?', '.', and string quotes" },
{ Summarize, 0, "s", "summarize", Arg::None,
" -s, --summarize \tdisplay joint statistics for all files" },
{ 0, 0, 0, 0, 0, 0 }
};
struct GrepParams {
// options
std::string search_tag;
int max_count = 0;
bool verbose = false;
bool with_filename = false;
bool with_blockname = true;
bool with_line_numbers = false;
bool with_tag = false;
bool only_tags = false;
bool summarize = false;
bool only_filenames = false;
bool inverse = false; // for now it refers to only_filenames only
bool print_count = false;
bool raw = false;
std::string delim;
std::vector<std::string> multi_tags;
char globbing = '\0'; // g = globbing, r = regexp
// working parameters
const char* path = "";
std::string block_name;
int match_value = 0;
int match_column = -1;
int table_width = 0;
int column = 0;
std::vector<int> counters;
size_t total_count = 0;
bool last_block = false;
std::vector<int> multi_match_columns;
std::vector<std::vector<std::string>> multi_values;
std::regex re;
};
template<typename Input>
void process_match(const Input& in, GrepParams& par, int n) {
if (cif::is_null(in.string()) && !par.raw)
return;
++par.counters[0];
if (par.only_filenames)
throw true;
if (par.print_count)
return;
const char* sep = par.delim.empty() ? ":" : par.delim.c_str();
if (par.with_filename)
printf("%s%s", par.path, sep);
if (par.with_blockname)
printf("%s%s", par.block_name.c_str(), sep);
if (par.with_line_numbers)
printf("%zu%s", in.iterator().line, sep);
if (par.with_tag) {
const std::string& tag = n < 0 ? par.search_tag : par.multi_tags[n];
if (par.only_tags) {
printf("%s\n", tag.c_str());
if (n == -1)
par.match_column = -1;
else
par.multi_match_columns[n] = -1;
return;
} else if (par.delim.empty()) {
printf("[%s] ", tag.c_str());
} else {
printf("%s%s", tag.c_str(), sep);
}
}
std::string value = par.raw ? in.string() : cif::as_string(in.string());
printf("%s\n", value.c_str());
if (par.counters[0] == par.max_count)
throw true;
}
// Escape delim (which normally is a a single character) with backslash.
std::string escape(const std::string& s, char delim) {
std::string r;
for (char c : s) {
if (c == '\n') {
r += "\\n";
continue;
}
if (c == '\\' || c == delim)
r += '\\';
r += c;
}
return r;
}
void process_multi_match(GrepParams& par) {
if (par.multi_values.empty())
return;
if (par.print_count || par.only_filenames) {
for (auto& mv : par.multi_values)
mv.clear();
return;
}
std::string need_escaping = "\n\\";
if (par.delim.size() < 2)
need_escaping += par.delim.empty() ? ';' : par.delim[0];
for (size_t i = 0; i != par.multi_values[0].size(); ++i) {
if (cif::is_null(par.multi_values[0][i]) && !par.raw)
continue;
const char* sep = par.delim.empty() ? ":" : par.delim.c_str();
if (par.with_filename)
printf("%s%s", par.path, sep);
if (par.with_blockname)
printf("%s%s", par.block_name.c_str(), sep);
if (par.with_tag) {
if (par.delim.empty())
printf("[%s] ", par.multi_tags[0].c_str());
else
printf("%s%s", par.multi_tags[0].c_str(), sep);
}
for (size_t j = 0; j != par.multi_values.size(); ++j) {
if (j != 0)
std::fputs(par.delim.empty() ? ";" : par.delim.c_str(), stdout);
const auto& v = par.multi_values[j];
if (!v.empty()) {
const std::string& raw_str = v[i < v.size() ? i : 0];
std::string s = par.raw ? raw_str : cif::as_string(raw_str);
if (s.find_first_of(need_escaping) != std::string::npos)
s = escape(s, need_escaping[2]);
printf("%s", s.c_str());
}
}
std::putc('\n', stdout);
if (par.counters[0] == par.max_count)
break;
}
for (auto& mv : par.multi_values)
mv.clear();
}
void print_count(const GrepParams& par) {
const char* sep = par.delim.empty() ? ":" : par.delim.c_str();
if (par.with_filename)
printf("%s%s", par.path, sep);
if (par.with_blockname)
printf("%s%s", par.block_name.c_str(), sep);
bool first = true;
for (int c : par.counters) {
if (!first)
std::fputs(par.delim.empty() ? ";" : par.delim.c_str(), stdout);
printf("%d", c);
first = false;
}
std::putc('\n', stdout);
}
bool tag_matches(const GrepParams& p, const std::string& str) {
if (p.globbing == 'g')
return gemmi::glob_match(p.search_tag, str);
std::smatch results;
return std::regex_match(str, results, p.re);
}
template<typename Rule> struct Search : pegtl::nothing<Rule> {};
template<> struct Search<rules::datablockname> {
template<typename Input> static void apply(const Input& in, GrepParams& p) {
process_multi_match(p);
if (!p.block_name.empty() && p.print_count && p.with_blockname) {
print_count(p);
p.total_count += p.counters[0];
for (int& c : p.counters)
c = 0;
}
p.block_name = in.string();
}
};
template<> struct Search<rules::str_global> {
template<typename Input> static void apply(const Input& in, GrepParams& p) {
Search<rules::datablockname>::apply(in, p);
}
};
template<> struct Search<rules::framename> {
template<typename Input> static void apply(const Input& in, GrepParams& p) {
p.block_name += " " + in.string();
}
};
template<> struct Search<rules::endframe> {
template<typename Input> static void apply(const Input&, GrepParams& p) {
process_multi_match(p);
p.block_name.erase(p.block_name.rfind(' '));
}
};
template<> struct Search<rules::item_tag> {
template<typename Input> static void apply(const Input& in, GrepParams& p) {
if (p.globbing == '\0') {
if (p.search_tag.size() == in.size() && p.search_tag == in.string())
p.match_value = 1;
} else {
if (tag_matches(p, in.string())) {
p.multi_tags.resize(1);
p.multi_tags[0] = in.string();
p.match_value = 1;
}
}
}
};
template<> struct Search<rules::item_value> {
template<typename Input> static void apply(const Input& in, GrepParams& p) {
if (p.match_value) {
p.match_value = 0;
process_match(in, p, p.globbing != '\0' ? 0 : -1);
if (p.last_block && p.globbing == '\0')
throw true;
}
}
};
template<> struct Search<rules::str_loop> {
template<typename Input> static void apply(const Input&, GrepParams& p) {
p.table_width = 0;
if (p.globbing != '\0') {
p.multi_tags.clear();
p.multi_match_columns.clear();
}
}
};
template<> struct Search<rules::loop_tag> {
template<typename Input> static void apply(const Input& in, GrepParams& p) {
if (p.globbing == '\0') {
if (p.search_tag.size() == in.size() && p.search_tag == in.string()) {
p.match_column = p.table_width;
p.column = 0;
}
} else {
if (tag_matches(p, in.string())) {
p.multi_tags.emplace_back(in.string());
p.multi_match_columns.emplace_back(p.table_width);
p.match_column = 0;
p.column = 0;
}
}
p.table_width++;
}
};
template<> struct Search<rules::loop_end> {
template<typename Input> static void apply(const Input&, GrepParams& p) {
if (p.match_column != -1) {
p.match_column = -1;
if (p.last_block && p.globbing == '\0')
throw true;
}
}
};
template<> struct Search<rules::loop_value> {
template<typename Input> static void apply(const Input& in, GrepParams& p) {
if (p.match_column == -1)
return;
if (p.globbing == '\0') {
if (p.column == p.match_column)
process_match(in, p, -1);
} else {
for (int i = 0; i != (int) p.multi_match_columns.size(); ++i)
if (p.column == p.multi_match_columns[i])
process_match(in, p, i);
}
p.column++;
if (p.column == p.table_width)
p.column = 0;
}
};
template<typename T> bool any_empty(const std::vector<T>& v) {
for (const T& a : v)
if (a.empty())
return true;
return false;
}
template<typename Rule> struct MultiSearch : Search<Rule> {};
template<> struct MultiSearch<rules::item_tag> {
template<typename Input> static void apply(const Input& in, GrepParams& p) {
const std::string s = in.string();
for (int i = 0; i < static_cast<int>(p.multi_tags.size()); ++i)
if (p.multi_tags[i] == s)
p.match_value = i + 1;
}
};
template<> struct MultiSearch<rules::item_value> {
template<typename Input> static void apply(const Input& in, GrepParams& p) {
if (p.match_value) {
if (p.raw || !cif::is_null(in.string()))
++p.counters[p.match_value - 1];
p.multi_values[p.match_value - 1].emplace_back(in.string());
p.match_value = 0;
if (p.last_block && !any_empty(p.multi_values))
throw true;
}
}
};
template<> struct MultiSearch<rules::loop_tag> {
template<typename Input> static void apply(const Input& in, GrepParams& p) {
const std::string s = in.string();
for (size_t i = 0; i != p.multi_tags.size(); ++i)
if (p.multi_tags[i] == s) {
p.multi_match_columns[i] = p.table_width;
p.match_column = 0;
p.column = 0;
}
p.table_width++;
}
};
template<> struct MultiSearch<rules::loop_end> {
template<typename Input> static void apply(const Input&, GrepParams& p) {
if (p.match_column == 0) {
p.match_column = -1;
for (int& c : p.multi_match_columns)
c = -1;
if (p.last_block && !any_empty(p.multi_values))
throw true;
}
}
};
template<> struct MultiSearch<rules::loop_value> {
template<typename Input> static void apply(const Input& in, GrepParams& p) {
if (p.match_column == 0) {
for (size_t i = 0; i != p.multi_values.size(); ++i)
if (p.column == p.multi_match_columns[i]) {
if (p.raw || !cif::is_null(in.string()))
++p.counters[i];
// if it's not the loop with the main tag, we need only one value
if (p.multi_match_columns[0] != -1 || p.multi_values[i].empty())
p.multi_values[i].emplace_back(in.string());
}
p.column++;
if (p.column == p.table_width)
p.column = 0;
}
}
};
template<typename Input>
void run_parse(Input&& in, GrepParams& par) {
if (par.multi_values.empty())
pegtl::parse<rules::file, Search, cif::Errors>(in, par);
else
pegtl::parse<rules::file, MultiSearch, cif::Errors>(in, par);
}
void grep_file(const std::string& path, GrepParams& par, int& err_count) {
if (par.verbose)
fprintf(stderr, "Reading %s ...\n", path.c_str());
par.path = path.c_str();
par.block_name.clear();
par.counters.clear();
if (par.globbing != '\0')
par.multi_tags.clear();
size_t n_multi = par.multi_tags.size();
par.counters.resize(n_multi == 0 ? 1 : n_multi, 0);
par.match_column = -1;
par.match_value = 0;
par.multi_match_columns.clear();
par.multi_match_columns.resize(n_multi, -1);
par.multi_values.clear();
par.multi_values.resize(n_multi);
try {
gemmi::MaybeGzipped input(path);
if (input.is_stdin()) {
pegtl::cstream_input<> in(stdin, 16*1024, "stdin");
run_parse(in, par);
} else if (gemmi::CharArray mem = input.uncompress_into_buffer()) {
pegtl::memory_input<> in(mem.data(), mem.size(), path);
run_parse(in, par);
} else {
GEMMI_CIF_FILE_INPUT(in, path);
run_parse(in, par);
}
} catch (bool) {
// ok, "throw true" is used as goto
} catch (std::runtime_error& e) {
std::fflush(stdout);
fprintf(stderr, "Error when parsing %s:\n\t%s\n", path.c_str(), e.what());
err_count++;
return;
}
if (par.print_count) {
print_count(par);
} else if (par.only_filenames) {
if (par.inverse == (par.counters[0] == 0))
printf("%s\n", par.path);
} else {
process_multi_match(par);
}
par.total_count += par.counters[0];
std::fflush(stdout);
}
} // anonymous namespace
int GEMMI_MAIN(int argc, char **argv) {
OptParser p(EXE_NAME);
p.simple_parse(argc, argv, Usage);
GrepParams params;
if (p.options[MaxCount])
params.max_count = std::strtol(p.options[MaxCount].arg, nullptr, 10);
if (p.options[OneBlock])
params.last_block = true;
if (p.options[Verbose])
params.verbose = true;
if (p.options[WithFileName])
params.with_filename = true;
if (p.options[NoBlockName])
params.with_blockname = false;
p.check_exclusive_pair(And, WithLineNumbers);
p.check_exclusive_pair(And, ExtRegexp);
p.check_exclusive_pair(And, OnlyTags);
if (p.options[WithLineNumbers])
params.with_line_numbers = true;
if (p.options[WithTag])
params.with_tag = true;
if (p.options[OnlyTags]) {
params.with_tag = true;
params.only_tags = true;
}
if (p.options[Summarize])
params.summarize = true;
if (p.options[MatchingFiles])
params.only_filenames = true;
if (p.options[NonMatchingFiles]) {
params.only_filenames = true;
params.inverse = true;
}
if (p.options[Count])
params.print_count = true;
if (p.options[Raw])
params.raw = true;
if (p.options[Delim]) {
params.delim = p.options[Delim].arg;
gemmi::replace_all(params.delim, "\\t", "\t");
}
auto paths = p.paths_from_args_or_file(FromFile, 1);
const char* tag = p.nonOption(0);
if (tag[0] != '_' && !p.options[ExtRegexp]) {
fprintf(stderr, "CIF tag must start with \"_\": %s\n", tag);
return 2;
}
if (p.options[And]) {
params.multi_tags.emplace_back(tag);
for (const option::Option* opt = p.options[And]; opt; opt = opt->next()) {
if (opt->arg[0] != '_') {
fprintf(stderr, "CIF tags start with _; not a tag: %s\n", opt->arg);
return 2;
}
if (strchr(opt->arg, '?') || strchr(opt->arg, '*')) {
fprintf(stderr, "Glob patterns are not supported together with -a.\n");
return 2;
}
params.multi_tags.emplace_back(opt->arg);
}
} else {
params.search_tag = tag;
if (p.options[ExtRegexp]) {
params.globbing = 'r';
params.re.assign(tag, std::regex::extended | std::regex::icase);
} else if (params.search_tag.find_first_of("?*") != std::string::npos) {
params.globbing = 'g';
}
}
size_t file_count = 0;
int err_count = 0;
try {
char expand_type = p.options[PdbDirSf] ? 'S' : 'M';
for (const std::string& path : paths) {
if (path == "-") {
grep_file(path, params, err_count);
file_count++;
} else if (p.options[FromFile] ? starts_with_pdb_code(path)
: gemmi::is_pdb_code(path)) {
std::string real_path = gemmi::expand_if_pdb_code(path.substr(0, 4), expand_type);
params.last_block = true; // PDB code implies -O
grep_file(real_path, params, err_count);
params.last_block = p.options[OneBlock];
file_count++;
} else {
if (p.options[NamePattern]) {
std::string pattern = p.options[NamePattern].arg;
for (const std::string& file : gemmi::GlobWalk(path, pattern)) {
grep_file(file, params, err_count);
file_count++;
}
} else if (!p.options[Recurse] && (gemmi::giends_with(path, ".cif") ||
gemmi::giends_with(path, ".mmcif"))) {
// Avoid tinydir_file_open (used by CifWalk) when not necessary.
// It was reported to fail on a Mac with files on network drive.
// Probably reading the parent directory failed, no idea why.
grep_file(path, params, err_count);
file_count++;
} else {
for (const std::string& file : gemmi::CifWalk(path)) {
grep_file(file, params, err_count);
file_count++;
}
}
}
}
} catch (std::runtime_error &e) {
fprintf(stderr, "Error: %s\n", e.what());
return 2;
}
if (p.options[Summarize]) {
printf("Total count in %zu files: %zu\n", file_count, params.total_count);
if (err_count > 0)
printf("Errors encountered when reading %d files.\n", err_count);
}
if (err_count > 0)
return 2;
return params.total_count != 0 ? EXIT_SUCCESS : EXIT_FAILURE;
}
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