mirror of
https://github.com/schrodinger/pymol-open-source.git
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dc2aff4133
- Use proper doxygen syntax for all function comments - ObjectMoleculeUpdateNeighbors allow const argument - Remove obsolete ObjectMolecule::BondCounter
98 lines
2.2 KiB
C++
98 lines
2.2 KiB
C++
/*
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* Cif export helper stuff
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*
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* (c) 2016 Schrodinger, Inc.
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*/
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#include "os_std.h"
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#include "CifDataValueFormatter.h"
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#include "strcasecmp.h"
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/**
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* Simplified whitespace test. Returns true if string `s` contains any character
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* between 0x01 and 0x20 (this range contains all whitespace characters and
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* no printable characters)
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*/
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static
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bool has_whitespace(const char * s) {
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for (; *s; ++s)
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if (*s <= ' ')
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return true;
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return false;
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}
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/**
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* Return true if `s` contains the given quote character followed by white space
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*/
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static
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bool has_quotespace(const char * s, char quote) {
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for (; (s = strchr(s, quote)); ++s)
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if (s[1] && s[1] <= ' ')
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return true;
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return false;
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}
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/**
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* Return true if `s` is a "simple data value" according to the CIF
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* syntax specification
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*/
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static
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bool cif_is_simpledatavalue(const char * s) {
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return (
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// first character is special
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!strchr("_#$'\"[];", s[0]) &&
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// whitespace
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!has_whitespace(s) &&
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// special values '.' (inapplicable) and '?' (unknown)
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!((s[0] == '.' || s[0] == '?') && !s[1]) &&
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// prefix is special
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strncasecmp("data_", s, 5) &&
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strncasecmp("save_", s, 5) &&
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// reserved words
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strcasecmp("loop_", s) &&
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strcasecmp("stop_", s) &&
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strcasecmp("global_", s));
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}
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std::string & CifDataValueFormatter::nextbuf() {
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// advance circular pointer
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m_i = (m_i + 1) % m_buf.size();
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return m_buf[m_i];
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}
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const char * CifDataValueFormatter::quoted(const char * s) {
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const char * quote = nullptr;
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if (!strchr(s, '\n')) {
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if (!has_quotespace(s, '\'')) {
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quote = "'";
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} else if (!has_quotespace(s, '"')) {
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quote = "\"";
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}
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}
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if (!quote) {
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quote = "\n;";
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if (strstr(s, quote)) {
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printf(" CIF-Warning: data value contains unquotable <newline><semicolon>\n");
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return "<UNQUOTABLE>";
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}
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}
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return nextbuf().assign(quote).append(s).append(quote).c_str();
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}
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const char * CifDataValueFormatter::operator() (const char * s, const char * d) {
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if (!s[0])
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return d;
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if (cif_is_simpledatavalue(s))
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return s;
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return quoted(s);
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}
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const char * CifDataValueFormatter::operator() (char c, const char * d) {
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return (*this)(nextbuf().assign(1, c).c_str(), d);
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}
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