PLMD::colvar::CS2Backbone::Fragment Struct Reference

Public Member Functions
	Fragment ()

Public Attributes
vector< Value * >	comp
vector< double >	exp_cs
unsigned	res_type_prev
unsigned	res_type_curr
unsigned	res_type_next
unsigned	res_kind
unsigned	fd
string	res_name
vector< int >	pos
vector< int >	prev
vector< int >	curr
vector< int >	next
vector< int >	side_chain
vector< int >	xd1
vector< int >	xd2
vector< unsigned >	box_nb
vector< int >	phi
vector< int >	psi
vector< int >	chi1
double	t_phi
double	t_psi
double	t_chi1
vector< Vector >	dd0
vector< Vector >	dd10
vector< Vector >	dd21
vector< Vector >	dd2

Constructor & Destructor Documentation

Fragment()

PLMD::colvar::CS2Backbone::Fragment::Fragment ( )

inline

Member Data Documentation

box_nb

vector<unsigned> PLMD::colvar::CS2Backbone::Fragment::box_nb

chi1

vector<int> PLMD::colvar::CS2Backbone::Fragment::chi1

comp

vector<Value*> PLMD::colvar::CS2Backbone::Fragment::comp

curr

vector<int> PLMD::colvar::CS2Backbone::Fragment::curr

dd0

vector<Vector> PLMD::colvar::CS2Backbone::Fragment::dd0

dd10

vector<Vector> PLMD::colvar::CS2Backbone::Fragment::dd10

dd2

vector<Vector> PLMD::colvar::CS2Backbone::Fragment::dd2

dd21

vector<Vector> PLMD::colvar::CS2Backbone::Fragment::dd21

exp_cs

vector<double> PLMD::colvar::CS2Backbone::Fragment::exp_cs

fd

unsigned PLMD::colvar::CS2Backbone::Fragment::fd

next

vector<int> PLMD::colvar::CS2Backbone::Fragment::next

phi

vector<int> PLMD::colvar::CS2Backbone::Fragment::phi

pos

vector<int> PLMD::colvar::CS2Backbone::Fragment::pos

prev

vector<int> PLMD::colvar::CS2Backbone::Fragment::prev

psi

vector<int> PLMD::colvar::CS2Backbone::Fragment::psi

res_kind

unsigned PLMD::colvar::CS2Backbone::Fragment::res_kind

res_name

string PLMD::colvar::CS2Backbone::Fragment::res_name

res_type_curr

unsigned PLMD::colvar::CS2Backbone::Fragment::res_type_curr

res_type_next

unsigned PLMD::colvar::CS2Backbone::Fragment::res_type_next

res_type_prev

unsigned PLMD::colvar::CS2Backbone::Fragment::res_type_prev

side_chain

vector<int> PLMD::colvar::CS2Backbone::Fragment::side_chain

t_chi1

double PLMD::colvar::CS2Backbone::Fragment::t_chi1

t_phi

double PLMD::colvar::CS2Backbone::Fragment::t_phi

t_psi

double PLMD::colvar::CS2Backbone::Fragment::t_psi

xd1

vector<int> PLMD::colvar::CS2Backbone::Fragment::xd1

xd2

vector<int> PLMD::colvar::CS2Backbone::Fragment::xd2

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The documentation for this struct was generated from the following file:

• colvar/CS2Backbone.cpp