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stage
include
ost
mol
bond_table.hh
Go to the documentation of this file.
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//------------------------------------------------------------------------------
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// This file is part of the OpenStructure project <www.openstructure.org>
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//
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// Copyright (C) 2008-2011 by the OpenStructure authors
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//
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// This library is free software; you can redistribute it and/or modify it under
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// the terms of the GNU Lesser General Public License as published by the Free
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// Software Foundation; either version 3.0 of the License, or (at your option)
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// any later version.
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// This library is distributed in the hope that it will be useful, but WITHOUT
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// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
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// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more
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// details.
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//
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// You should have received a copy of the GNU Lesser General Public License
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// along with this library; if not, write to the Free Software Foundation, Inc.,
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// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
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//------------------------------------------------------------------------------
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#ifndef OST_BOND_TABLE_HH
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#define OST_BOND_TABLE_HH
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#include <map>
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#include <
ost/mol/impl/connector_impl_fw.hh
>
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#include <
ost/mol/bond_handle.hh
>
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namespace
ost {
namespace
mol {
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template
<
typename
ATOM>
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struct
BondTableEntry
{
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BondTableEntry
(
const
BondHandle
& b,
const
ATOM& atom)
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:
bond
(b) {
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atoms
[0]=atom;
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}
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BondHandle
bond
;
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ATOM
atoms
[2];
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bool
IsComplete
()
const
{
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return
atoms
[1].IsValid();
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}
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};
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template
<
typename
ATOM>
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struct
BondTable
{
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typedef
BondTableEntry<ATOM>
EntryType
;
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typedef
typename
std::map<impl::ConnectorImpl*, EntryType>
MapType
;
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MapType
bonds
;
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void
Update
(
const
BondHandle
& bond,
const
ATOM& a) {
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if
(!bond.
IsValid
())
return
;
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typename
MapType::iterator i=
bonds
.find(bond.
Impl
().get());
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if
(i!=
bonds
.end()) {
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i->second.atoms[1]=a;
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}
else
{
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bonds
.insert(std::make_pair(bond.
Impl
().get(),
EntryType
(bond, a)));
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}
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}
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};
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}}
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#endif
ost::mol::BondTableEntry::atoms
ATOM atoms[2]
Definition:
bond_table.hh:36
ost::mol::BondTable::MapType
std::map< impl::ConnectorImpl *, EntryType > MapType
Definition:
bond_table.hh:45
ost::mol::BondTable::bonds
MapType bonds
Definition:
bond_table.hh:46
ost::mol::BondHandle::Impl
const impl::ConnectorImplP & Impl() const
Definition:
bond_handle.hh:106
bond_handle.hh
ost::mol::BondHandle::IsValid
bool IsValid() const
check validity of handle
ost::mol::BondTableEntry::bond
BondHandle bond
Definition:
bond_table.hh:35
ost::mol::BondTable::EntryType
BondTableEntry< ATOM > EntryType
Definition:
bond_table.hh:44
ost::mol::BondTableEntry::IsComplete
bool IsComplete() const
Definition:
bond_table.hh:37
ost::mol::BondTable
Definition:
bond_table.hh:43
ost::mol::BondHandle
chemical bond
Definition:
bond_handle.hh:34
ost::mol::BondTable::Update
void Update(const BondHandle &bond, const ATOM &a)
Definition:
bond_table.hh:47
ost::mol::BondTableEntry
Definition:
bond_table.hh:30
connector_impl_fw.hh
ost::mol::BondTableEntry::BondTableEntry
BondTableEntry(const BondHandle &b, const ATOM &atom)
Definition:
bond_table.hh:31
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