On Mar 23, 2006, at 1:36 PM, Bob Hanson wrote:
Frieda wrote:
have Jmol compute the coordinates of a moveTo command that would
move the center of a specified atomset to the (XY) center of the
applet.
Trivial -- just "transformPoint()"
Two things to address here:
1. The question of Jmol computing this moveTo command is what Miguel
has said should move to the developer's list, so that does not sound
like it is trivial...
2. Not familiar with transformPoint(). I Googled it and came up with:
http://msdn.microsoft.com/workshop/browser/mshtml/reference/ifaces/
displayservices/transformpoint.asp
which says:
IDisplayServices::TransformPoint Method
Syntax
HRESULT TransformPoint(
POINT *pPoint,
COORD_SYSTEM eSource,
COORD_SYSTEM eDestination,
IHTMLElement *pIElement
);
Parameters
pPoint
[in, out] Pointer to a variable of type POINT that specifies the
point to transform and receives the new point after transformation.
eSource
[in] COORD_SYSTEM value that specifies the current frame of reference
for the point.
eDestination
[in] COORD_SYSTEM value that specifies the new frame of reference
that the point's current coordinates should be transformed to. This
parameter cannot be set to COORD_SYSTEM_CONTENT.
pIElement
[in] Pointer to an IHTMLElement interface that specifies the relative
element when eSource is set to COORD_SYSTEM_CONTENT.
Return Value
Returns S_OK if successful, or an error value otherwise.
So now I have to admit that I am really out of my depth here. This
Microsoft page may be referring to some version of this function that
is IE-specific or something, but it is the most intelligible (to me)
hit that I got on Google. Even if it is not the correct form of the
function, perhaps it gives some idea of what you are suggestiong.
Let's say:
"atomset" = the set of atoms that I want to be the center of rotation
and would like to move to the center of the applet, XY
"whole model" coordinate system = default coordinate system when
model is loaded
"atomset-based" coordinate system = new coordinate system after
centering atomset
In whole-model system, coordinates for center of atomset to coincide
with XY are unknown.
In atomset-based system, these [x,y,z] coordinates are [0,0,0] (right?)
So are you saying that I would use the transformPoint function to ask
what 0,0,0 in the atomset-based system would be in the whole model
system?
So -
POINT *pPoint would be (0,0,0)
COORD_SYSTEM eSource - how do you specify a frame of reference?
COORD_SYSTEM eDestination - same question
IHTMLElement *pIElement - no idea what this is
...am I on the right track, at least? or is this a more complex
question that will be addressed on the developer's list...
Frieda
///////////////////////////////////////////
Frieda Reichsman, PhD
Molecules in Motion
Interactive Molecular Structures
http://www.moleculesinmotion.com
///////////////////////////////////////////
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