Bond¶
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class
Bond
: public feasst::PropertiedEntity, public feasst::TypedEntity¶ Sites within the same particle may be bonded. The indices of the sites which are bonded are stored here. The type of the bond is used to determine the bond model.
Subclassed by feasst::Angle, feasst::Dihedral, feasst::Improper
Public Functions
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const std::vector<int> &
site_indices
() const¶ Return the indices of the sites involved in the bond within a particle.
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int
site
(const int index) const¶ Return the indices of the sites involved in the bond within a particle.
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int
num_sites
() const¶ Return the number of sites in bond.
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void
add_site_index
(const int index)¶ Add site index.
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const std::vector<int> &