Page 29 out of 81 total pages , Page 2 out of 15 pages in this chapter

3.8 Quadrupolar Interaction Constructors

3.8.1 IntQuad

Usage:


void IntQuad::IntQuad()
void IntQuad::IntQuad(const IntQuad& Q1)
void IntQuad::IntQuad(double qn, double delzz, double eta=0.0, double theta=0.0, double phi=0.0)
void IntQuad::IntQuad(double qn, ParameterAVLSet& pset, int idx=-1)

Description:

The function IntQuad is used to create a new quadrupolar interaction.
  1. IntQuad() - Called without arguments the function creates a NULL quadrupolar interaction.
  2. IntQuad(const IntQuad& Q1) - Called with another quadrupolar interaction, a new quadrupolar interaction is constructed which is identical to the input interaction.
  3. IntQuad(double qn, double delzz, double eta=0.0, double theta=0.0, double phi=0.0) - This will construct a new quadrupolar interaction for a spin having the quantum number qn. The value of qn 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) quadrupolar coupling constant and related to the quadrupolar 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 quadrupolar interaction relative to its PAS.
  4. IntQuad(double qn, ParameterAVLSet& pset, int idx=-1) - This will construct a new quadrupolar interaction for a spin having the quantum number qn from parameters found in the parameter set pset. If the optional index idx has been set >=0 the quadrupolar 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 quadrupolar interaction.

Examples:


IntQuad Q; // An empty quadrupolar interaction.
IntQuad Q1(1.5, 3.e5,.2, 45., 30.); // Q. Int. for I=3/2, QCC=300kHz, =.2, q=45, f=30
IntQuad Q2(Q1); // Another Quad. Interaction, here equal to Q1
Q = Q2; // Now Q is the same as Q1 and Q2

See Also: =, read, ask_read

3.8.2 =

Usage:


void IntQuad::operator= (const IntQuad& Q1)

Description:

The operator = is assign one quadrupolar interaction to another.

Return Value:

Void.

Example:


IntQuad Q; // An empty quadrupolar interaction.
IntQuad Q1(1.5, 3.e5,.2, 45., 30.); // Q. Int. for I=3/2, QCC=300kHz, =.2, q=45, f=30
Q = Q1; // Now Q is the same as Q1

See Also: constructor, read, ask_read



Page 29 out of 81 total pages , Page 2 out of 15 pages in this chapter

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