CN111192641A

CN111192641A - System and method for user interaction in complex web 3D scene

Info

Publication number: CN111192641A
Application number: CN201911327957.6A
Authority: CN
Inventors: 韩非; 王炎; 马健; 赖力鹏; 温书豪
Original assignee: Xtalpi Inc
Current assignee: Xtalpi Inc
Priority date: 2019-12-20
Filing date: 2019-12-20
Publication date: 2020-05-22
Anticipated expiration: 2039-12-20
Also published as: CN111192641B

Abstract

The invention provides a system and a method for user interaction in a complex web 3D scene, which comprise a receiving module, a transmitting module and a 3D model module; a receiving module: receiving molecular data; a transmission module: analyzing the received molecular data, and simultaneously entering two branch modules; the branching module includes: and a viewing layer unit: managing rendering of the browser and construction of the 3D model, wherein data generated by the branch can be finally displayed on a page of the browser; a data layer unit: processing 3D picking-up related business logic, and establishing a list of index information of a related model aiming at atoms, covalent bonds and the like in molecular data; a 3D model module: and a one-to-one correspondence relationship between colors and 3D models is established, and all 3D models needing to be picked up have a unique index in the data layer. The invention aims at the pickup of web 3D molecular visualization to firstly reduce the computational overhead of model data on the rendering of a display model (stick-shaped model) of a molecule.

Description

System and method for user interaction in complex web 3D scene

Technical Field

The invention belongs to the field of chemical computation, and particularly relates to a system and a method for user interaction in a complex web 3D scene.

Background

In the chemical research field, a set of standard description files aiming at molecules (mol format) and crystals (cif format) are often required to facilitate different research organizations and organizations to achieve consensus on chemical molecules or crystals with the same structure, while data in pure text formats such as cif and mol are not beneficial to researchers to visually observe the 3D structure of the corresponding chemical structure, although related 3D structure display software exists in the chemical field, the application of the clients is not beneficial to popularization, use and propagation, along with the improvement of modern browser performance and the update of web 3D technology, a 3D display and interactive web 3D tool which can run in a browser and is developed based on JavaScript programming language becomes a reality, and as a plurality of chemical molecules or crystal structures are complex, a large amount of data calculation is generated during 3D rendering, therefore, the optimization of the performance is particularly important, and the scheme aims to solve the problems of stagnation and insufficient rendering frame rate caused by time consumption of calculation on 3D molecular visualization interaction in a browser environment.

The interactive operation in the web 3D scene is to be picked up based on clicking of the object in the 3D scene at first, and the main scheme for picking up the object in the 3D scene is ray method pickup at present.

Objects rendered in the webgl rendering engine are all located in a space called a view volume. As shown in fig. 1 and 2.

Disclosure of Invention

In order to solve the above technical problems, the present invention provides a system for user interaction in a complex web 3D scene, comprising a receiving module, a transmitting module and a 3D model module;

a receiving module: receiving molecular data, mol files, cif files and custom structures containing crystal information;

a transmission module: analyzing the received molecular data, and simultaneously entering two branch modules; the branching module includes:

and a viewing layer unit: managing rendering of the browser and construction of the 3D model, wherein data generated by the branch can be finally displayed on a page of the browser;

a data layer unit: processing 3D picking-up related business logic, and establishing a list of index information of a related model aiming at atoms, covalent bonds, hydrogen bonds and flexible angles in molecular data;

a 3D model module: and a one-to-one correspondence relationship between colors and 3D models is established, and all 3D models needing to be picked up have a unique index in the data layer.

Preferably, the molecular data adopts mol files, cif files and custom structures containing crystal information.

Correspondingly, the invention provides a method for user interaction in a complex web 3D scene, which comprises the following steps:

step A, analyzing the received molecular data;

step B, simultaneously entering two branch modules, wherein the two branch modules comprise a first branch module and a second branch module, the first branch module is used as a view layer and mainly used for processing the rendering of the browser and the construction of a 3D model, and data generated by the branch can be finally displayed on a page of the browser;

step C, the second branch module is used as a data layer and is specially responsible for processing 3D picking-up related service logic, and a list of index information of related models is established for atoms, covalent bonds and the like in molecular data;

and D, establishing corresponding simplified model data in an invisible 3D scene according to requirements, and establishing a one-to-one corresponding relation between a color and the 3D model, wherein all the 3D models needing to be picked have a unique index in a data layer.

The index is a 16-ary color from #000001 to # FFFFFE, and may be marked with 16 × 16-2 units in total, without rendering on the browser page.

The invention brings the following beneficial effects:

1. this approach reduces the computational overhead of model data on the rendering of the presentation model (stick model) of the molecule first for the pick-up of web 3D molecular visualizations.

2. By establishing simplified and pickable model data of a data layer which does not need to be rendered, the 3D scene rendering overhead is reduced, and the construction of unnecessarily picked model data is avoided.

Drawings

Figure 1 is a view of a vertebral body model under perspective projection in the prior art,

fig. 2 is a view of a vertebral body model under orthogonal projection in the prior art.

Fig. 3 is a perspective projection view of a vertebral body.

The flow of the 3D pick-up scheme is shown in fig. 4

In fig. 5, L2 represents the related data of the 3D scene rendered in the browser page, corresponding to the data generated by the viewing layer in fig. 1; l1 may be considered a screen of a computer.

Fig. 6 is a cube of the lattice.

Fig. 7 is a cube of the 1x1x lattice.

Fig. 8 is a cube of a 2x2x2 lattice.

Fig. 9 is a cube of a 3x3x3 lattice.

Detailed Description

Preferred embodiments of the present invention will be described in further detail below with reference to the accompanying drawings:

example 1

The flow of the 3D picking scheme is shown in fig. 4, after receiving the molecular data (mol, cif files), the data is analyzed, and then the data enters into two branch modules simultaneously, the left branch module is used as a view layer to mainly process rendering of the browser and construction of the 3D model, the data generated by the branch will be finally presented on the page of the browser, the right branch module is used as a data layer and is specially responsible for processing 3D picking related service logic, a list of index information of related models is established for atoms, covalent bonds and the like in the molecular data, the data generated by the branch module is always operated in a memory, corresponding simplified model data is established in an invisible 3D scene according to requirements, a one-to-one correspondence relationship between a color and the 3D model is established, and all 3D models that need to be picked will have a unique index in the data layer, the index is a 16-ary color from #000001 to # FFFFFE, and may mark 16 × 16 — 2 units in total without rendering on the browser page.

Example 2

As shown in fig. 5, L2 represents the related data of the 3D scene rendered in the browser page, corresponding to the data generated by the viewing layer in fig. 4; l1 may be considered a screen of a computer. When the user clicks a point P1 on the screen, a 3D pick operation is triggered. When a user clicks a point P1 on the screen, the picking phase module obtains the screen click position of the point and constructs a temporary virtual plane, which is similar to the computer screen L1 and is a projection of 3D model data on a 2D plane, as if the sphere S1 is projected on the L1 and is represented as a circle P1, the projected 2D shape on the virtual plane takes the index of the projected 3D model as its color, for example, the index of an atom in 3D space at the picking module is #123456, that on the virtual plane temporarily constructed by the picking module, the color of the circle of the atom mapped on the plane is #123456, after the community module reads the color #123456 of the mouse position on the virtual plane, the 3D model corresponding to the position is found without calculation according to the color as index information, and the 3D object information of the point is successfully picked, in the process, a large number of calculation processes are avoided, and meanwhile, the overhead of data calculation of the picked 3D model is reduced, so that the rendering frame rate of the 3D scene is improved.

1x1x1 as shown in FIG. 7, 2x2x2 as shown in FIG. 8, and 3x3x3 as shown in FIG. 9.

Description of the drawings: the 3x3x3 lattice expansion is carried out in three directions of oa, ob and oc, and a single lattice expands to a cube consisting of 27 lattices 3x3x3, and a cube consisting of 8 lattices 2x2x 2.

Effect comparison (comparative test using structure of aspirin (aspirin)) as shown in table 1:

TABLE 1

The foregoing is a more detailed description of the invention in connection with specific preferred embodiments and it is not intended that the invention be limited to these specific details. For those skilled in the art to which the invention pertains, several simple deductions or substitutions can be made without departing from the spirit of the invention, and all shall be considered as belonging to the protection scope of the invention.

Claims

1. A system for user interaction in a complex web 3D scene is characterized by comprising a receiving module, a transmitting module and a 3D model module;

a receiving module: receiving molecular data;

a transmission module: analyzing the received molecular data, and simultaneously entering two branch modules;

the branching module includes:

a data layer unit: processing 3D picking-up related business logic, and establishing a list of index information of a related model aiming at atoms, covalent bonds and the like in molecular data;

2. A method for user interaction in a complex web 3D scenario as claimed in claim 1, comprising the steps of:

step A, analyzing the received molecular data;

3. The method of claim 2, wherein the index is a 16-ary color from #000001 to # FFFFFE, which may be marked with 16 x 16-2 units in total, without rendering on the browser page.