Helper class for adding bonds to a group-redundant system.
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#include <export_helpers.hpp>
Helper class for adding bonds to a group-redundant system.
- Precondition
- Atoms already exist in the system
-
groupTypeList has no duplicates (otherwise adding an inter-residue bond will add it to all residues with the same group type)
◆ BondAdder()
- Parameters
-
[in,out] | data | Consistent system with atoms |
- Exceptions
-
◆ operator()()
bool mmtf::BondAdder::operator() |
( |
int32_t |
atom1, |
|
|
int32_t |
atom2, |
|
|
int8_t |
order |
|
) |
| |
|
inline |
Add one bond.
- Parameters
-
[in] | atom1 | Atom index 1 (zero-based) |
[in] | atom2 | Atom index 2 (zero-based) |
[in] | order | Bond order |
- Returns
- False if atom indices out of bounds
The documentation for this class was generated from the following file: