| 36 | 
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 * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).              | 
| 37 | 
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 * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).           | 
| 38 | 
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 * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).           | 
| 39 | 
< | 
 * [4]  Vardeman & Gezelter, in progress (2009).                         | 
| 39 | 
> | 
 * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010). | 
| 40 | 
> | 
 * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). | 
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 */ | 
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#include <algorithm> | 
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#include <cassert> | 
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#include <string> | 
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+ | 
#include <iterator> | 
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 | 
| 48 | 
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#include "utils/OpenMDBitSet.hpp" | 
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#include "utils/Algorithm.hpp" | 
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    assert(fromIndex <= toIndex); | 
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    assert(fromIndex >=0); | 
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    assert(toIndex <= size()); | 
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< | 
    std::vector<char>::iterator first = bitset_.begin() + fromIndex; | 
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< | 
    std::vector<char>::iterator last = bitset_.begin() + toIndex; | 
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    std::vector<bool>::iterator first = bitset_.begin() + fromIndex; | 
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> | 
    std::vector<bool>::iterator last = bitset_.begin() + toIndex; | 
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 | 
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    std::transform(first, last, first, std::logical_not<bool>()); | 
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         | 
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    assert(fromIndex <= toIndex); | 
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    assert(fromIndex >=0); | 
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    assert(toIndex <= size()); | 
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< | 
    std::vector<char>::iterator first = bitset_.begin() + fromIndex; | 
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< | 
    std::vector<char>::iterator last = bitset_.begin() + toIndex; | 
| 79 | 
> | 
    std::vector<bool>::iterator first = bitset_.begin() + fromIndex; | 
| 80 | 
> | 
    std::vector<bool>::iterator last = bitset_.begin() + toIndex; | 
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 | 
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    OpenMDBitSet result; | 
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    std::copy(first, last, std::back_inserter(result.bitset_)); | 
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  } | 
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 | 
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  bool OpenMDBitSet::none() { | 
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    std::vector<char>::iterator i = std::find(bitset_.begin(), bitset_.end(), true); | 
| 88 | 
> | 
    std::vector<bool>::iterator i = std::find(bitset_.begin(), bitset_.end(), true); | 
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    return i == bitset_.end() ? true : false; | 
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  } | 
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     | 
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    assert(fromIndex <= toIndex); | 
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    assert(fromIndex >=0); | 
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    assert(toIndex <= size()); | 
| 146 | 
< | 
    std::vector<char>::iterator first = bitset_.begin() + fromIndex; | 
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< | 
    std::vector<char>::iterator last = bitset_.begin() + toIndex; | 
| 146 | 
> | 
    std::vector<bool>::iterator first = bitset_.begin() + fromIndex; | 
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> | 
    std::vector<bool>::iterator last = bitset_.begin() + toIndex; | 
| 148 | 
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    std::fill(first, last, value); | 
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  } | 
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 | 
| 199 | 
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  //} | 
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  std::ostream& operator<< ( std::ostream& os, const OpenMDBitSet& bs) { | 
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< | 
    for (int i = 0; i < bs.bitset_.size(); ++i) { | 
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> | 
    for (unsigned int i = 0; i < bs.bitset_.size(); ++i) { | 
| 203 | 
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      std::string val = bs[i] ? "true" : "false"; | 
| 204 | 
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      os << "OpenMDBitSet[" << i <<"] = " << val << std::endl;  | 
| 205 | 
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    } |