mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-03 21:44:30 +08:00
da6cd73168
* run clang-format-18 across Code/*.cpp and Code/*.h * run clang-format-18 across External
89 lines
2.4 KiB
C++
89 lines
2.4 KiB
C++
// $Id$
|
|
//
|
|
// Copyright (c) 2003-2008 greg Landrum and Rational Discovery LLC
|
|
//
|
|
// @@ All Rights Reserved @@
|
|
// This file is part of the RDKit.
|
|
// The contents are covered by the terms of the BSD license
|
|
// which is included in the file license.txt, found at the root
|
|
// of the RDKit source tree.
|
|
//
|
|
#include "BitVect.h"
|
|
#include <sstream>
|
|
#include <limits>
|
|
#include <RDGeneral/StreamOps.h>
|
|
#include "base64.h"
|
|
#ifdef WIN32
|
|
#include <ios>
|
|
#endif
|
|
#include <cstdint>
|
|
|
|
BitVect::~BitVect() {}; // must always implement virtual destructors
|
|
|
|
void BitVect::initFromText(const char *data, const unsigned int dataLen,
|
|
bool isBase64, bool allowOldFormat) {
|
|
std::stringstream ss(std::ios_base::binary | std::ios_base::in |
|
|
std::ios_base::out);
|
|
if (isBase64) {
|
|
unsigned int actualLen;
|
|
char *decoded;
|
|
decoded = Base64Decode((const char *)data, &actualLen);
|
|
ss.write(decoded, actualLen);
|
|
delete[] decoded;
|
|
} else {
|
|
ss.write(data, dataLen);
|
|
}
|
|
|
|
std::int32_t format = 0;
|
|
std::int32_t version = 0;
|
|
std::uint32_t nOn = 0;
|
|
std::int32_t size;
|
|
|
|
// earlier versions of the code did not have the version number encoded, so
|
|
// we'll use that to distinguish version 0
|
|
RDKit::streamRead(ss, size);
|
|
if (size < 0) {
|
|
version = -1 * size;
|
|
switch (version) {
|
|
case 16:
|
|
format = 1;
|
|
break;
|
|
case 32:
|
|
format = 2;
|
|
break;
|
|
default:
|
|
throw ValueErrorException("bad version in BitVect pickle");
|
|
break;
|
|
}
|
|
RDKit::streamRead(ss, size);
|
|
} else if (!allowOldFormat) {
|
|
throw ValueErrorException("invalid BitVect pickle");
|
|
}
|
|
|
|
RDKit::streamRead(ss, nOn);
|
|
_initForSize(static_cast<int>(size));
|
|
|
|
// if the either have older version or or version 16 with ints for on bits
|
|
if ((format == 0) ||
|
|
((format == 1) && (size >= std::numeric_limits<unsigned short>::max()))) {
|
|
std::uint32_t tmp;
|
|
for (unsigned int i = 0; i < nOn; i++) {
|
|
RDKit::streamRead(ss, tmp);
|
|
setBit(tmp);
|
|
}
|
|
} else if (format == 1) { // version 16 and on bits stored as short ints
|
|
std::uint16_t tmp;
|
|
for (unsigned int i = 0; i < nOn; i++) {
|
|
RDKit::streamRead(ss, tmp);
|
|
setBit(tmp);
|
|
}
|
|
} else if (format == 2) { // run length encoded format
|
|
std::uint32_t curr = 0;
|
|
for (unsigned int i = 0; i < nOn; i++) {
|
|
curr += RDKit::readPackedIntFromStream(ss);
|
|
setBit(curr);
|
|
curr++;
|
|
}
|
|
}
|
|
}
|