7#ifndef BALL_MOLMEC_COMMON_ATOMVECTOR_H
8#define BALL_MOLMEC_COMMON_ATOMVECTOR_H
14#ifndef BALL_MATHS_VECTOR3_H
30 :
private std::vector<Atom*>
76 using
std::vector<
Atom*>::clear;
103 void set(const
Composite& composite,
bool selected_only = false);
112 using
std::vector<
Atom*>::size;
115 Atom* & operator [] (
int i) {
return std::vector<Atom*>::operator [] (i); }
116 Atom*
const & operator [] (
int i)
const {
return std::vector<Atom*>::operator [] (i); }
153 using std::vector<
Atom*>::push_back;
169 iterator
begin() {
return std::vector<Atom*>::begin(); }
170 const_iterator
begin()
const {
return std::vector<Atom*>::begin(); }
175 iterator
end() {
return std::vector<Atom*>::end(); }
176 const_iterator
end()
const {
return std::vector<Atom*>::end(); }
#define BALL_CREATE_DEEP(name)
BALL_EXPORT AtomList atoms(const AtomContainer &fragment, const String &expression=String())
BALL_EXTERN_VARIABLE const double k
const_iterator begin() const
const_iterator end() const
std::vector< Atom * >::const_iterator ConstIterator
std::vector< Vector3 > saved_position_
void resize(Size new_size)
std::vector< Atom * >::iterator Iterator
void moveTo(const Gradient &direction, double step=1.0)
void moveTo(const Gradient &direction, double step, Size k)