Page 18 out of 84 total pages , Page 2 out of 13 pages in this chapter
Usage:
Description:
The function IntDip is used to create a new Dipolar interaction.IntDip() - Called without arguments the function creates a NULL Dipolar interaction.
IntDip(const IntDip& D1) - Called with another Dipolar interaction, a new Dipolar interaction is constructed which is identical to the input interaction.
IntDip(double Dn, double delzz, double eta=0.0, double theta=0.0, double phi=0.0) - This will construct a new Dipolar interaction for a spin having the quantum number Dn. The value of Dn must be an integer multiple of 0.5 and be greater than 0.5 (i.e. 1, 1.5, 2.5, 3.0....). The strength of the interaction is set by the argument delzz assumed to be in units of Hz. The value of delzz is equivalent to the (nuclear) Dipolar coupling constant and related to the Dipolar frequency. The value of eta can be optionally input and this set the asymmetry of the interaction. It is restricted to be within the range [0, 1]. Two angles, theta and phi, can be optionally specified in Hz. This will set the orientation of the Dipolar interaction relative to its PAS.
IntDip(double Dn, ParameterAVLSet& pset, int idx=-1) - This will construct a new Dipolar interaction for a spin having the quantum number Dn from parameters found in the parameter set pset. If the optional index idx has been set >=0 the Dipolar parameters scanned in pset will be assumed to have a (idx) appended to their names.
Return Value:
Void. It is used strictly to create a Dipolar interaction.Examples:
#include <gamma.h>
main()
{
IntDip D; // An empty Dipolar interaction.
IntDip D1(1.5, 3.e5,.2, 45., 30.); // D. Int. for I=3/2, DCC=300kHz, h=.2, q=45, f=30
IntDip D2(D1); // Another Dip. Interaction, here equal to D1
D = D2; // Now D is the same as D1 and D2
}
See Also: =, read, ask_read
Usage:
Description:
The operator = is assign one Dipolar interaction to another.Return Value:
Void.Example:
#include <gamma.h>
main()
{
IntDip D; // An empty Dipolar interaction.
IntDip D1(1.5, 3.e5,.2, 45., 30.); // D. Int. for I=3/2, DCC=300kHz, h=.2, q=45, f=30
D = D1; // Now D is the same as D1
}
See Also: constructor, read, ask_read
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© 1996 Scott A. Smith, The NHMFL, and The Florida State University. All Rights Reserved. |